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]+ 181.00845 132.0
[M+Na]+ 202.99039 143.5
[M-H]- 178.99389 137.6
[M+NH4]+ 198.03499 151.4
[M+K]+ 218.96433 139.3
[M+H-H2O]+ 162.99843 128.6
[M+HCOO]- 224.99937 144.6
[M+CH3COO]- 239.01502 178.3
[M+Na-2H]- 200.97584 136.0
[M]+ 180.00062 137.7
[M]- 180.00172 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.