CID 106341

1-tetradecenedisulfonic acid

Structural Information

Molecular Formula
C14H28O6S2
SMILES
C(CCCCCCS(=O)(=O)O)CCCCCC=CS(=O)(=O)O
InChI
InChI=1S/C14H28O6S2/c15-21(16,17)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22(18,19)20/h11,13H,1-10,12,14H2,(H,15,16,17)(H,18,19,20)
InChIKey
WSGAFJAIEIECAK-UHFFFAOYSA-N
Compound name
tetradec-1-ene-1,14-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.13272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14000 183.2
[M+Na]+ 379.12194 186.4
[M-H]- 355.12544 178.6
[M+NH4]+ 374.16654 194.6
[M+K]+ 395.09588 180.0
[M+H-H2O]+ 339.12998 177.0
[M+HCOO]- 401.13092 189.4
[M+CH3COO]- 415.14657 202.3
[M+Na-2H]- 377.10739 182.8
[M]+ 356.13217 189.8
[M]- 356.13327 189.8
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

No patent data available for this compound.