CID 139026734

2361635-94-9

Structural Information

Molecular Formula
C5H7ClO3S
SMILES
C1C(CC1=O)CS(=O)(=O)Cl
InChI
InChI=1S/C5H7ClO3S/c6-10(8,9)3-4-1-5(7)2-4/h4H,1-3H2
InChIKey
QIXFLFYPHHSRLO-UHFFFAOYSA-N
Compound name
(3-oxocyclobutyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.98044 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.98772 123.4
[M+Na]+ 204.96966 131.2
[M-H]- 180.97316 127.3
[M+NH4]+ 200.01426 138.2
[M+K]+ 220.94360 131.2
[M+H-H2O]+ 164.97770 114.6
[M+HCOO]- 226.97864 135.8
[M+CH3COO]- 240.99429 178.2
[M+Na-2H]- 202.95511 127.4
[M]+ 181.97989 135.7
[M]- 181.98099 135.7
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.