CID 107566

Hexadec-1-ene-1-sulfonic acid

Structural Information

Molecular Formula
C16H32O3S
SMILES
CCCCCCCCCCCCCCC=CS(=O)(=O)O
InChI
InChI=1S/C16H32O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h15-16H,2-14H2,1H3,(H,17,18,19)
InChIKey
AQAZJLHZPATQOM-UHFFFAOYSA-N
Compound name
hexadec-1-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

183
Patents

304.2072 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21448 177.0
[M+Na]+ 327.19642 180.6
[M-H]- 303.19992 174.2
[M+NH4]+ 322.24102 191.9
[M+K]+ 343.17036 175.6
[M+H-H2O]+ 287.20446 170.8
[M+HCOO]- 349.20540 190.4
[M+CH3COO]- 363.22105 201.4
[M+Na-2H]- 325.18187 175.9
[M]+ 304.20665 183.8
[M]- 304.20775 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe