CID 11150151

(4-bromo-2-fluorophenyl)(phenyl)methanone

Structural Information

Molecular Formula
C13H8BrFO
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C13H8BrFO/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey
NEQRGFYWKQXNBT-UHFFFAOYSA-N
Compound name
(4-bromo-2-fluorophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

277.97427 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.98155 152.5
[M+Na]+ 300.96349 164.3
[M-H]- 276.96699 160.8
[M+NH4]+ 296.00809 172.2
[M+K]+ 316.93743 152.4
[M+H-H2O]+ 260.97153 151.3
[M+HCOO]- 322.97247 173.1
[M+CH3COO]- 336.98812 195.6
[M+Na-2H]- 298.94894 158.6
[M]+ 277.97372 169.8
[M]- 277.97482 169.8
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