CID 55279326

1-methylcyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H7ClO2S
SMILES
CC1(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C4H7ClO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3
InChIKey
FMDWPLJEKVUGTC-UHFFFAOYSA-N
Compound name
1-methylcyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

153.98553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.99281 122.9
[M+Na]+ 176.97475 134.1
[M-H]- 152.97825 128.2
[M+NH4]+ 172.01935 142.2
[M+K]+ 192.94869 131.6
[M+H-H2O]+ 136.98279 119.9
[M+HCOO]- 198.98373 136.8
[M+CH3COO]- 212.99938 173.3
[M+Na-2H]- 174.96020 129.6
[M]+ 153.98498 129.4
[M]- 153.98608 129.4
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