CID 170411

40694-53-9

Structural Information

Molecular Formula
C16H32O6S2
SMILES
CCCCCCCCCCCCCCC=C(S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C16H32O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(23(17,18)19)24(20,21)22/h15H,2-14H2,1H3,(H,17,18,19)(H,20,21,22)
InChIKey
TZQIHQAYTNPPNL-UHFFFAOYSA-N
Compound name
hexadec-1-ene-1,1-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.16403 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17131 190.9
[M+Na]+ 407.15325 192.9
[M-H]- 383.15675 185.9
[M+NH4]+ 402.19785 201.2
[M+K]+ 423.12719 186.7
[M+H-H2O]+ 367.16129 184.5
[M+HCOO]- 429.16223 195.5
[M+CH3COO]- 443.17788 208.8
[M+Na-2H]- 405.13870 188.9
[M]+ 384.16348 197.7
[M]- 384.16458 197.7
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

No patent data available for this compound.