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
1
Annotation Hits

0
References

153
Patents

177.03453 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04181 131.5
[M+Na]+ 200.02375 149.1
[M-H]- 176.02725 140.4
[M+NH4]+ 195.06835 149.7
[M+K]+ 215.99769 140.7
[M+H-H2O]+ 160.03179 123.3
[M+HCOO]- 222.03273 150.3
[M+CH3COO]- 236.04838 146.2
[M+Na-2H]- 198.00920 140.8
[M]+ 177.03398 132.0
[M]- 177.03508 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