CID 54347504

4-methylpentane-2-sulfonyl chloride

Structural Information

Molecular Formula
C6H13ClO2S
SMILES
CC(C)CC(C)S(=O)(=O)Cl
InChI
InChI=1S/C6H13ClO2S/c1-5(2)4-6(3)10(7,8)9/h5-6H,4H2,1-3H3
InChIKey
UDICPXQQCPKMFG-UHFFFAOYSA-N
Compound name
4-methylpentane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

184.03249 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.039766 134.3
[M+Na]+ 207.021708 142.4
[M-H]- 183.025214 135.3
[M+NH4]+ 202.066313 155.7
[M+K]+ 222.995648 140.1
[M+H-H2O]+ 167.029750 131.2
[M+HCOO]- 229.030691 145.5
[M+CH3COO]- 243.046341 179.1
[M+Na-2H]- 205.007156 136.0
[M]+ 184.03194142 139.1
[M]- 184.03303858 139.1
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