CID 324052

4-chloro-alpha-phenylhydrocinnamonitrile

Structural Information

Molecular Formula
C15H12ClN
SMILES
C1=CC=C(C=C1)C(CC2=CC=C(C=C2)Cl)C#N
InChI
InChI=1S/C15H12ClN/c16-15-8-6-12(7-9-15)10-14(11-17)13-4-2-1-3-5-13/h1-9,14H,10H2
InChIKey
ABVFADOVAQKBBK-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-phenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

241.06583 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07311 157.5
[M+Na]+ 264.05505 168.1
[M-H]- 240.05855 162.6
[M+NH4]+ 259.09965 173.8
[M+K]+ 280.02899 160.1
[M+H-H2O]+ 224.06309 144.7
[M+HCOO]- 286.06403 172.8
[M+CH3COO]- 300.07968 168.4
[M+Na-2H]- 262.04050 161.8
[M]+ 241.06528 153.6
[M]- 241.06638 153.6
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

patents stripe