CID 3069796

2-chloro-4'-methyl-4-(1-pyrrolyl)benzophenone

Structural Information

Molecular Formula
C18H14ClNO
SMILES
CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)N3C=CC=C3)Cl
InChI
InChI=1S/C18H14ClNO/c1-13-4-6-14(7-5-13)18(21)16-9-8-15(12-17(16)19)20-10-2-3-11-20/h2-12H,1H3
InChIKey
UYLJUXDAAKYHIG-UHFFFAOYSA-N
Compound name
(2-chloro-4-pyrrol-1-ylphenyl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0764 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08368 167.8
[M+Na]+ 318.06562 184.9
[M+NH4]+ 313.11022 177.2
[M+K]+ 334.03956 177.2
[M-H]- 294.06912 174.2
[M+Na-2H]- 316.05107 178.7
[M]+ 295.07585 172.6
[M]- 295.07695 172.6
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

No patent data available for this compound.