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

13
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.