CID 62084556

Heptane-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H15ClO2S
SMILES
CCCC(CCC)S(=O)(=O)Cl
InChI
InChI=1S/C7H15ClO2S/c1-3-5-7(6-4-2)11(8,9)10/h7H,3-6H2,1-2H3
InChIKey
OWMJFQIHJFOWPP-UHFFFAOYSA-N
Compound name
heptane-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

198.04813 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05541 143.6
[M+Na]+ 221.03735 153.4
[M+NH4]+ 216.08195 151.2
[M+K]+ 237.01129 146.2
[M-H]- 197.04085 142.0
[M+Na-2H]- 219.02280 145.8
[M]+ 198.04758 145.1
[M]- 198.04868 145.1
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

patents stripe