CID 66280

Dodecane-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H25ClO2S
SMILES
CCCCCCCCCCCCS(=O)(=O)Cl
InChI
InChI=1S/C12H25ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
InChIKey
PBULHKIPTBIZHO-UHFFFAOYSA-N
Compound name
dodecane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

436
Patents

268.12637 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13365 162.5
[M+Na]+ 291.11559 168.7
[M-H]- 267.11909 162.2
[M+NH4]+ 286.16019 180.6
[M+K]+ 307.08953 163.9
[M+H-H2O]+ 251.12363 157.9
[M+HCOO]- 313.12457 173.8
[M+CH3COO]- 327.14022 195.5
[M+Na-2H]- 289.10104 163.3
[M]+ 268.12582 170.7
[M]- 268.12692 170.7
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.