N:2 ftacr n=11 (C18H11F23O2)

Structural Information

Molecular Formula

SMILES

CC(=C)CC(=O)OCCC(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

InChI

InChI=1S/C18H11F23O2/c1-6(2)5-7(42)43-4-3-8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)41/h1,3-5H2,2H3

InChIKey

IRIXBKPKQSYLHB-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-tricosafluorotridecyl 3-methylbut-3-enoate

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]+	697.046476	206.3
[M+Na]+	719.028418	210.7
[M-H]-	695.031924	218.0
[M+NH4]+	714.073023	220.3
[M+K]+	735.002358	224.7
[M+H-H2O]+	679.036460	194.0
[M+HCOO]-	741.037401	221.2
[M+CH3COO]-	755.053051	264.0
[M+Na-2H]-	717.013866	205.7
[M]+	696.03865142	204.7
[M]-	696.03974858	204.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

697.046476

206.3

[M+Na]+

719.028418

210.7

[M-H]-

695.031924

218.0

[M+NH4]+

714.073023

220.3

[M+K]+

735.002358

224.7

[M+H-H2O]+

679.036460

194.0

[M+HCOO]-

741.037401

221.2

[M+CH3COO]-

755.053051

264.0

[M+Na-2H]-

717.013866

205.7

[M]+

696.03865142

204.7

[M]-

696.03974858

204.7

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

N:2 ftacr n=11

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe