CID 6837

Diphenylacetonitrile

Structural Information

Molecular Formula
C14H11N
SMILES
C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2
InChI
InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChIKey
NEBPTMCRLHKPOB-UHFFFAOYSA-N
Compound name
2,2-diphenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

2274
Patents

193.08914 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.096416 147.7
[M+Na]+ 216.078358 156.9
[M-H]- 192.081864 152.8
[M+NH4]+ 211.122963 164.6
[M+K]+ 232.052298 150.9
[M+H-H2O]+ 176.086400 134.2
[M+HCOO]- 238.087341 167.3
[M+CH3COO]- 252.102991 159.0
[M+Na-2H]- 214.063806 153.6
[M]+ 193.08859142 141.0
[M]- 193.08968858 141.0
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