CID 231999

N-phenylbenzimidoyl cyanide

Structural Information

Molecular Formula
C14H10N2
SMILES
C1=CC=C(C=C1)C(=NC2=CC=CC=C2)C#N
InChI
InChI=1S/C14H10N2/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10H
InChIKey
NPUCOHNCJJHBCA-UHFFFAOYSA-N
Compound name
N-phenylbenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

206.0844 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09168 151.8
[M+Na]+ 229.07362 160.7
[M-H]- 205.07712 157.9
[M+NH4]+ 224.11822 168.4
[M+K]+ 245.04756 155.1
[M+H-H2O]+ 189.08166 137.5
[M+HCOO]- 251.08260 173.7
[M+CH3COO]- 265.09825 201.4
[M+Na-2H]- 227.05907 158.1
[M]+ 206.08385 145.3
[M]- 206.08495 145.3
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