CID 3062516

3-chloro-4'-phenylbenzophenone

Structural Information

Molecular Formula
C19H13ClO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H13ClO/c20-18-8-4-7-17(13-18)19(21)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H
InChIKey
IIMHFJOYSGKNFB-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)-(4-phenylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.0655 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07278 165.9
[M+Na]+ 315.05472 174.4
[M-H]- 291.05822 175.5
[M+NH4]+ 310.09932 181.6
[M+K]+ 331.02866 167.4
[M+H-H2O]+ 275.06276 157.8
[M+HCOO]- 337.06370 184.7
[M+CH3COO]- 351.07935 178.0
[M+Na-2H]- 313.04017 170.5
[M]+ 292.06495 167.3
[M]- 292.06605 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe