CID 86775547

2,2,3-trimethylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H15ClO2S
SMILES
CC(C)C(C)(C)CS(=O)(=O)Cl
InChI
InChI=1S/C7H15ClO2S/c1-6(2)7(3,4)5-11(8,9)10/h6H,5H2,1-4H3
InChIKey
BUYBIZNSGFHMJB-UHFFFAOYSA-N
Compound name
2,2,3-trimethylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04813 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05541 139.1
[M+Na]+ 221.03735 147.4
[M-H]- 197.04085 140.2
[M+NH4]+ 216.08195 160.1
[M+K]+ 237.01129 144.8
[M+H-H2O]+ 181.04539 136.2
[M+HCOO]- 243.04633 149.5
[M+CH3COO]- 257.06198 181.7
[M+Na-2H]- 219.02280 142.3
[M]+ 198.04758 144.4
[M]- 198.04868 144.4
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.