CID 478908

[4-(4-bromophenyl)phenyl]-(4-nitrophenyl)methanone

Structural Information

Molecular Formula
C19H12BrNO3
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H12BrNO3/c20-17-9-5-14(6-10-17)13-1-3-15(4-2-13)19(22)16-7-11-18(12-8-16)21(23)24/h1-12H
InChIKey
UDNHRMNANKQYQG-UHFFFAOYSA-N
Compound name
[4-(4-bromophenyl)phenyl]-(4-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

381.00006 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.00734 182.7
[M+Na]+ 403.98928 191.1
[M-H]- 379.99278 194.3
[M+NH4]+ 399.03388 196.6
[M+K]+ 419.96322 175.4
[M+H-H2O]+ 363.99732 183.9
[M+HCOO]- 425.99826 204.0
[M+CH3COO]- 440.01391 208.5
[M+Na-2H]- 401.97473 188.2
[M]+ 380.99951 199.9
[M]- 381.00061 199.9
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

No patent data available for this compound.