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 144.2
[M+Na]+ 231.02171 152.4
[M+NH4]+ 226.06631 155.0
[M+K]+ 246.99565 146.4
[M-H]- 207.02521 143.3
[M+Na-2H]- 229.00716 146.7
[M]+ 208.03194 145.8
[M]- 208.03304 145.8
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.