CID 2734026

4-bromo-2-fluorobenzoyl chloride

Structural Information

Molecular Formula
C7H3BrClFO
SMILES
C1=CC(=C(C=C1Br)F)C(=O)Cl
InChI
InChI=1S/C7H3BrClFO/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3H
InChIKey
PCFIABOQFAFDAU-UHFFFAOYSA-N
Compound name
4-bromo-2-fluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

918
Patents

235.90398 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.91126 134.5
[M+Na]+ 258.89320 148.8
[M-H]- 234.89670 140.2
[M+NH4]+ 253.93780 157.1
[M+K]+ 274.86714 136.2
[M+H-H2O]+ 218.90124 135.5
[M+HCOO]- 280.90218 151.3
[M+CH3COO]- 294.91783 186.4
[M+Na-2H]- 256.87865 141.4
[M]+ 235.90343 153.9
[M]- 235.90453 153.9
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

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