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 167.7
[M+Na]+ 318.06562 177.4
[M-H]- 294.06912 176.6
[M+NH4]+ 313.11022 184.2
[M+K]+ 334.03956 170.6
[M+H-H2O]+ 278.07366 159.4
[M+HCOO]- 340.07460 186.3
[M+CH3COO]- 354.09025 180.1
[M+Na-2H]- 316.05107 169.3
[M]+ 295.07585 170.4
[M]- 295.07695 170.4
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.