CID 11148468

4-[(phenylamino)methyl]benzonitrile

Structural Information

Molecular Formula
C14H12N2
SMILES
C1=CC=C(C=C1)NCC2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H12N2/c15-10-12-6-8-13(9-7-12)11-16-14-4-2-1-3-5-14/h1-9,16H,11H2
InChIKey
CCFYKRDGPNVIIG-UHFFFAOYSA-N
Compound name
4-(anilinomethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

208.10005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10733 150.8
[M+Na]+ 231.08927 160.1
[M-H]- 207.09277 156.0
[M+NH4]+ 226.13387 167.1
[M+K]+ 247.06321 154.0
[M+H-H2O]+ 191.09731 137.0
[M+HCOO]- 253.09825 172.2
[M+CH3COO]- 267.11390 161.9
[M+Na-2H]- 229.07472 157.4
[M]+ 208.09950 144.4
[M]- 208.10060 144.4
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