CID 131496920

1-methylcyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H9ClO2S
SMILES
CC1(CCC1)S(=O)(=O)Cl
InChI
InChI=1S/C5H9ClO2S/c1-5(3-2-4-5)9(6,7)8/h2-4H2,1H3
InChIKey
JYAAMESUFQZIPN-UHFFFAOYSA-N
Compound name
1-methylcyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

168.00117 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.008446 122.5
[M+Na]+ 190.990388 130.1
[M-H]- 166.993894 126.4
[M+NH4]+ 186.034993 139.6
[M+K]+ 206.964328 130.4
[M+H-H2O]+ 150.998430 115.1
[M+HCOO]- 212.999371 134.5
[M+CH3COO]- 227.015021 175.7
[M+Na-2H]- 188.975836 128.3
[M]+ 168.00062142 134.0
[M]- 168.00171858 134.0
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

patents stripe