CID 83707601

1-(4-methanesulfonylphenyl)cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C11H11NO2S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2(CC2)C#N
InChI
InChI=1S/C11H11NO2S/c1-15(13,14)10-4-2-9(3-5-10)11(8-12)6-7-11/h2-5H,6-7H2,1H3
InChIKey
AIEWYOXURZDKFU-UHFFFAOYSA-N
Compound name
1-(4-methylsulfonylphenyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.05106 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05834 148.1
[M+Na]+ 244.04028 160.8
[M+NH4]+ 239.08488 154.7
[M+K]+ 260.01422 150.5
[M-H]- 220.04378 149.8
[M+Na-2H]- 242.02573 156.0
[M]+ 221.05051 151.2
[M]- 221.05161 151.2
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.