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

13
Patents

168.00117 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.00845 122.5
[M+Na]+ 190.99039 130.1
[M-H]- 166.99389 126.4
[M+NH4]+ 186.03499 139.6
[M+K]+ 206.96433 130.4
[M+H-H2O]+ 150.99843 115.1
[M+HCOO]- 212.99937 134.5
[M+CH3COO]- 227.01502 175.7
[M+Na-2H]- 188.97584 128.3
[M]+ 168.00062 134.0
[M]- 168.00172 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