CID 83409616

3-bromo-2-fluoro-5-methylbenzoyl chloride

Structural Information

Molecular Formula
C8H5BrClFO
SMILES
CC1=CC(=C(C(=C1)Br)F)C(=O)Cl
InChI
InChI=1S/C8H5BrClFO/c1-4-2-5(8(10)12)7(11)6(9)3-4/h2-3H,1H3
InChIKey
HHWSLVGBHIQKAW-UHFFFAOYSA-N
Compound name
3-bromo-2-fluoro-5-methylbenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

249.91963 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.926906 138.3
[M+Na]+ 272.908848 153.0
[M-H]- 248.912354 144.2
[M+NH4]+ 267.953453 160.7
[M+K]+ 288.882788 140.2
[M+H-H2O]+ 232.916890 139.2
[M+HCOO]- 294.917831 154.8
[M+CH3COO]- 308.933481 190.3
[M+Na-2H]- 270.894296 144.0
[M]+ 249.91908142 158.4
[M]- 249.92017858 158.4
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