CID 107037

1-hexadecenedisulfonic acid

Structural Information

Molecular Formula
C16H32O6S2
SMILES
CCCC(CCCCCCC(CCCC=C)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C16H32O6S2/c1-3-5-8-12-16(24(20,21)22)14-10-7-6-9-13-15(11-4-2)23(17,18)19/h3,15-16H,1,4-14H2,2H3,(H,17,18,19)(H,20,21,22)
InChIKey
ZOFKILBUPMQWLE-UHFFFAOYSA-N
Compound name
hexadec-15-ene-4,11-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.16403 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17131 190.2
[M+Na]+ 407.15325 191.8
[M-H]- 383.15675 185.2
[M+NH4]+ 402.19785 200.2
[M+K]+ 423.12719 186.1
[M+H-H2O]+ 367.16129 183.8
[M+HCOO]- 429.16223 193.7
[M+CH3COO]- 443.17788 210.2
[M+Na-2H]- 405.13870 187.3
[M]+ 384.16348 196.5
[M]- 384.16458 196.5
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.