CID 23234152

4-bromobenzoyl fluoride

Structural Information

Molecular Formula
C7H4BrFO
SMILES
C1=CC(=CC=C1C(=O)F)Br
InChI
InChI=1S/C7H4BrFO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKey
SPKVPJFPBBPGDP-UHFFFAOYSA-N
Compound name
4-bromobenzoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

201.94296 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.95024 131.0
[M+Na]+ 224.93218 143.4
[M-H]- 200.93568 136.5
[M+NH4]+ 219.97678 153.8
[M+K]+ 240.90612 132.9
[M+H-H2O]+ 184.94022 131.0
[M+HCOO]- 246.94116 152.1
[M+CH3COO]- 260.95681 181.8
[M+Na-2H]- 222.91763 138.8
[M]+ 201.94241 148.2
[M]- 201.94351 148.2
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