CID 119031417

134127-45-0

Structural Information

Molecular Formula
C8H13ClO2S
SMILES
C1CC2(CCC1C2)CS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO2S/c9-12(10,11)6-8-3-1-7(5-8)2-4-8/h7H,1-6H2
InChIKey
TUEFNUBIIXIEAG-UHFFFAOYSA-N
Compound name
1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.03249 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03977 148.0
[M+Na]+ 231.02171 157.4
[M-H]- 207.02521 151.3
[M+NH4]+ 226.06631 175.4
[M+K]+ 246.99565 154.0
[M+H-H2O]+ 191.02975 146.4
[M+HCOO]- 253.03069 159.3
[M+CH3COO]- 267.04634 178.5
[M+Na-2H]- 229.00716 151.7
[M]+ 208.03194 151.4
[M]- 208.03304 151.4
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.