CID 72942870

1-phenylcyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H9ClO2S
SMILES
C1CC1(C2=CC=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H9ClO2S/c10-13(11,12)9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
LYYCQAQCTDHPOK-UHFFFAOYSA-N
Compound name
1-phenylcyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.00117 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00845 148.7
[M+Na]+ 238.99039 163.3
[M+NH4]+ 234.03499 159.8
[M+K]+ 254.96433 154.2
[M-H]- 214.99389 158.3
[M+Na-2H]- 236.97584 160.1
[M]+ 216.00062 155.6
[M]- 216.00172 155.6
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.