CID 73921

4-benzoylbenzonitrile

Structural Information

Molecular Formula
C14H9NO
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H
InChIKey
YSZWJJANSNFQMM-UHFFFAOYSA-N
Compound name
4-benzoylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

374
Patents

207.06842 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.075696 150.3
[M+Na]+ 230.057638 160.4
[M-H]- 206.061144 155.7
[M+NH4]+ 225.102243 166.8
[M+K]+ 246.031578 154.6
[M+H-H2O]+ 190.065680 136.8
[M+HCOO]- 252.066621 170.2
[M+CH3COO]- 266.082271 198.1
[M+Na-2H]- 228.043086 155.4
[M]+ 207.06787142 144.5
[M]- 207.06896858 144.5
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