CID 3652775

2-cyanobenzophenone

Structural Information

Molecular Formula
C14H9NO
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C#N
InChI
InChI=1S/C14H9NO/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11/h1-9H
InChIKey
XPBIJHFBORWDCM-UHFFFAOYSA-N
Compound name
2-benzoylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

207.06842 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07570 150.3
[M+Na]+ 230.05764 160.4
[M-H]- 206.06114 155.7
[M+NH4]+ 225.10224 166.8
[M+K]+ 246.03158 154.6
[M+H-H2O]+ 190.06568 136.8
[M+HCOO]- 252.06662 170.2
[M+CH3COO]- 266.08227 198.1
[M+Na-2H]- 228.04309 155.4
[M]+ 207.06787 144.5
[M]- 207.06897 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