PubChemLite - Mhpflca n=9 (C20H20F20O2)

Structural Information

Molecular Formula

SMILES

C(C(F)F)C(CC(CC(CC(CC(CC(CC(CC(CC(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C20H20F20O2/c21-10(22)1-12(23,24)2-13(25,26)3-14(27,28)4-15(29,30)5-16(31,32)6-17(33,34)7-18(35,36)8-19(37,38)9-20(39,40)11(41)42/h10H,1-9H2,(H,41,42)

InChIKey

YWOCCBKHEIFXBM-UHFFFAOYSA-N

Compound name

2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20-icosafluoroicosanoic 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]+	673.12168	204.2
[M+Na]+	695.10362	207.8
[M-H]-	671.10712	211.4
[M+NH4]+	690.14822	214.9
[M+K]+	711.07756	221.0
[M+H-H2O]+	655.11166	192.2
[M+HCOO]-	717.11260	216.5
[M+CH3COO]-	731.12825	263.2
[M+Na-2H]-	693.08907	200.7
[M]+	672.11385	201.0
[M]-	672.11495	201.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

673.12168

204.2

[M+Na]+

695.10362

207.8

[M-H]-

671.10712

211.4

[M+NH4]+

690.14822

214.9

[M+K]+

711.07756

221.0

[M+H-H2O]+

655.11166

192.2

[M+HCOO]-

717.11260

216.5

[M+CH3COO]-

731.12825

263.2

[M+Na-2H]-

693.08907

200.7

[M]+

672.11385

201.0

[M]-

672.11495

201.0

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

Mhpflca n=9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe