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: 176
Patents: 304.2072 Da
Monoisotopic Mass: 6.8
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]+	305.21448	178.4
[M+Na]+	327.19642	185.0
[M+NH4]+	322.24102	183.2
[M+K]+	343.17036	176.5
[M-H]-	303.19992	175.2
[M+Na-2H]-	325.18187	177.5
[M]+	304.20665	178.5
[M]-	304.20775	178.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe