CID 21938660

2-bromo-1-chloro-3-fluorobenzene

Structural Information

Molecular Formula
C6H3BrClF
SMILES
C1=CC(=C(C(=C1)Cl)Br)F
InChI
InChI=1S/C6H3BrClF/c7-6-4(8)2-1-3-5(6)9/h1-3H
InChIKey
GBESIUPWXGQOFP-UHFFFAOYSA-N
Compound name
2-bromo-1-chloro-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

342
Patents

207.90907 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.91635 128.3
[M+Na]+ 230.89829 143.1
[M-H]- 206.90179 134.1
[M+NH4]+ 225.94289 152.2
[M+K]+ 246.87223 130.4
[M+H-H2O]+ 190.90633 129.6
[M+HCOO]- 252.90727 146.0
[M+CH3COO]- 266.92292 181.9
[M+Na-2H]- 228.88374 136.9
[M]+ 207.90852 147.2
[M]- 207.90962 147.2
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

patents stripe