CID 84658823

(1-methylcyclobutyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C6H11ClO2S
SMILES
CC1(CCC1)CS(=O)(=O)Cl
InChI
InChI=1S/C6H11ClO2S/c1-6(3-2-4-6)5-10(7,8)9/h2-5H2,1H3
InChIKey
HWELZJMCCBKRQX-UHFFFAOYSA-N
Compound name
(1-methylcyclobutyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.01683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02411 127.0
[M+Na]+ 205.00605 134.3
[M-H]- 181.00955 130.8
[M+NH4]+ 200.05065 143.6
[M+K]+ 220.97999 134.3
[M+H-H2O]+ 165.01409 119.4
[M+HCOO]- 227.01503 138.8
[M+CH3COO]- 241.03068 178.6
[M+Na-2H]- 202.99150 132.4
[M]+ 182.01628 138.9
[M]- 182.01738 138.9
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.