CID 145512

114772-53-1

Structural Information

Molecular Formula
C14H11N
SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2C#N
InChI
InChI=1S/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3
InChIKey
ZGQVZLSNEBEHFN-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1024
Patents

193.08914 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09642 145.2
[M+Na]+ 216.07836 160.6
[M+NH4]+ 211.12296 151.7
[M+K]+ 232.05230 148.7
[M-H]- 192.08186 143.3
[M+Na-2H]- 214.06381 153.0
[M]+ 193.08859 146.3
[M]- 193.08969 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe