CID 109920

Einecs 269-467-8

Structural Information

Molecular Formula

C₁₁H₁₂F₁₃NO₃S

SMILES

CN(CCCCO)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C11H12F13NO3S/c1-25(4-2-3-5-26)29(27,28)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h26H,2-5H2,1H3

InChIKey

UXBLTIRZNSMGNQ-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(4-hydroxybutyl)-N-methylhexane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 82
Patents: 485.03302 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

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]+	486.040296	173.1
[M+Na]+	508.022238	178.8
[M-H]-	484.025744	179.0
[M+NH4]+	503.066843	181.9
[M+K]+	523.996178	184.4
[M+H-H2O]+	468.030280	163.3
[M+HCOO]-	530.031221	190.4
[M+CH3COO]-	544.046871	234.1
[M+Na-2H]-	506.007686	169.9
[M]+	485.03247142	173.0
[M]-	485.03356858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe