CID 43681577

2-(benzylamino)-4-chlorobenzonitrile

Structural Information

Molecular Formula
C14H11ClN2
SMILES
C1=CC=C(C=C1)CNC2=C(C=CC(=C2)Cl)C#N
InChI
InChI=1S/C14H11ClN2/c15-13-7-6-12(9-16)14(8-13)17-10-11-4-2-1-3-5-11/h1-8,17H,10H2
InChIKey
PIAZBFBIMPNJHL-UHFFFAOYSA-N
Compound name
2-(benzylamino)-4-chlorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.06108 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06836 157.7
[M+Na]+ 265.05030 168.8
[M-H]- 241.05380 163.0
[M+NH4]+ 260.09490 173.9
[M+K]+ 281.02424 161.0
[M+H-H2O]+ 225.05834 144.8
[M+HCOO]- 287.05928 175.0
[M+CH3COO]- 301.07493 168.8
[M+Na-2H]- 263.03575 163.1
[M]+ 242.06053 153.7
[M]- 242.06163 153.7
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