CID 5243931

2-amino-4'-bromobenzophenone

Structural Information

Molecular Formula
C13H10BrNO
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C13H10BrNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2
InChIKey
WIISOMGJWLLMDG-UHFFFAOYSA-N
Compound name
(2-aminophenyl)-(4-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

274.99457 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.00185 153.5
[M+Na]+ 297.98379 164.1
[M-H]- 273.98729 162.3
[M+NH4]+ 293.02839 172.6
[M+K]+ 313.95773 151.9
[M+H-H2O]+ 257.99183 152.3
[M+HCOO]- 319.99277 175.2
[M+CH3COO]- 334.00842 197.0
[M+Na-2H]- 295.96924 159.4
[M]+ 274.99402 170.0
[M]- 274.99512 170.0
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