CID 131288995

Bicyclo[3.1.0]hexane-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H9ClO2S
SMILES
C1C2C1CC(C2)S(=O)(=O)Cl
InChI
InChI=1S/C6H9ClO2S/c7-10(8,9)6-2-4-1-5(4)3-6/h4-6H,1-3H2
InChIKey
ZVPGNDDYIIMLSI-UHFFFAOYSA-N
Compound name
bicyclo[3.1.0]hexane-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.00117 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.008446 132.0
[M+Na]+ 202.990388 143.5
[M-H]- 178.993894 137.6
[M+NH4]+ 198.034993 151.4
[M+K]+ 218.964328 139.3
[M+H-H2O]+ 162.998430 128.6
[M+HCOO]- 224.999371 144.6
[M+CH3COO]- 239.015021 178.3
[M+Na-2H]- 200.975836 136.0
[M]+ 180.00062142 137.7
[M]- 180.00171858 137.7
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.