CID 138040231

2167008-07-1

Structural Information

Molecular Formula
C8H13ClO2S
SMILES
C1CC1C2CC(C2)CS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO2S/c9-12(10,11)5-6-3-8(4-6)7-1-2-7/h6-8H,1-5H2
InChIKey
ATUGAICQKBUQNY-UHFFFAOYSA-N
Compound name
(3-cyclopropylcyclobutyl)methanesulfonyl 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 128.5
[M+Na]+ 231.02171 136.3
[M-H]- 207.02521 135.5
[M+NH4]+ 226.06631 137.8
[M+K]+ 246.99565 135.2
[M+H-H2O]+ 191.02975 118.5
[M+HCOO]- 253.03069 140.3
[M+CH3COO]- 267.04634 187.6
[M+Na-2H]- 229.00716 131.8
[M]+ 208.03194 141.7
[M]- 208.03304 141.7
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.