CID 79862863

2,2-dimethylcyclopentane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO2S
SMILES
CC1(CCCC1S(=O)(=O)Cl)C
InChI
InChI=1S/C7H13ClO2S/c1-7(2)5-3-4-6(7)11(8,9)10/h6H,3-5H2,1-2H3
InChIKey
JBLMTRUVEYNVMR-UHFFFAOYSA-N
Compound name
2,2-dimethylcyclopentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03249 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03977 138.8
[M+Na]+ 219.02171 148.3
[M-H]- 195.02521 143.0
[M+NH4]+ 214.06631 163.6
[M+K]+ 234.99565 145.2
[M+H-H2O]+ 179.02975 136.5
[M+HCOO]- 241.03069 151.2
[M+CH3COO]- 255.04634 177.2
[M+Na-2H]- 217.00716 141.7
[M]+ 196.03194 141.6
[M]- 196.03304 141.6
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.