PubChemLite - 147290-12-8 (C14H6F25O3P)

Structural Information

Molecular Formula

SMILES

C(CP(=O)(O)O)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C14H6F25O3P/c15-3(16,1-2-43(40,41)42)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1-2H2,(H2,40,41,42)

InChIKey

DKOGAQUJJHTCEE-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecylphosphonic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	728.97278	206.4
[M+Na]+	750.95472	207.3
[M-H]-	726.95822	218.2
[M+NH4]+	745.99932	217.0
[M+K]+	766.92866	220.9
[M+H-H2O]+	710.96276	186.4
[M+HCOO]-	772.96370	223.0
[M+CH3COO]-	786.97935	262.2
[M+Na-2H]-	748.94017	204.0
[M]+	727.96495	203.6
[M]-	727.96605	203.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

728.97278

206.4

[M+Na]+

750.95472

207.3

[M-H]-

726.95822

218.2

[M+NH4]+

745.99932

217.0

[M+K]+

766.92866

220.9

[M+H-H2O]+

710.96276

186.4

[M+HCOO]-

772.96370

223.0

[M+CH3COO]-

786.97935

262.2

[M+Na-2H]-

748.94017

204.0

[M]+

727.96495

203.6

[M]-

727.96605

203.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

147290-12-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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