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
1
Annotation Hits

0
References

348
Patents

207.06842 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07570 148.9
[M+Na]+ 230.05764 163.3
[M+NH4]+ 225.10224 154.6
[M+K]+ 246.03158 152.3
[M-H]- 206.06114 146.2
[M+Na-2H]- 228.04309 156.0
[M]+ 207.06787 149.5
[M]- 207.06897 149.5
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

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