CID 83637644

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.04813 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.055406 139.2
[M+Na]+ 221.037348 147.7
[M-H]- 197.040854 140.4
[M+NH4]+ 216.081953 160.3
[M+K]+ 237.011288 145.1
[M+H-H2O]+ 181.045390 136.4
[M+HCOO]- 243.046331 149.7
[M+CH3COO]- 257.061981 181.0
[M+Na-2H]- 219.022796 142.4
[M]+ 198.04758142 144.4
[M]- 198.04867858 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

patents stripe