CID 98666

1-(p-chlorophenyl)cyclopropanecarbonitrile

Structural Information

Molecular Formula
C10H8ClN
SMILES
C1CC1(C#N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H8ClN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2
InChIKey
BVWSEHMDAKSWQW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

151
Patents

177.03453 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.041806 131.5
[M+Na]+ 200.023748 149.1
[M-H]- 176.027254 140.4
[M+NH4]+ 195.068353 149.7
[M+K]+ 215.997688 140.7
[M+H-H2O]+ 160.031790 123.3
[M+HCOO]- 222.032731 150.3
[M+CH3COO]- 236.048381 146.2
[M+Na-2H]- 198.009196 140.8
[M]+ 177.03398142 132.0
[M]- 177.03507858 132.0
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