CID 98852

4,4'-iminobisbenzonitrile

Structural Information

Molecular Formula
C14H9N3
SMILES
C1=CC(=CC=C1C#N)NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H9N3/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8,17H
InChIKey
LTCYVXGIJJJJND-UHFFFAOYSA-N
Compound name
4-(4-cyanoanilino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

219.07965 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.086926 165.7
[M+Na]+ 242.068868 175.9
[M-H]- 218.072374 170.1
[M+NH4]+ 237.113473 177.2
[M+K]+ 258.042808 169.5
[M+H-H2O]+ 202.076910 149.6
[M+HCOO]- 264.077851 179.1
[M+CH3COO]- 278.093501 172.7
[M+Na-2H]- 240.054316 168.0
[M]+ 219.07910142 156.5
[M]- 219.08019858 156.5
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