CID 3543065

4-bromo-2-chloro-1-fluorobenzene

Structural Information

Molecular Formula
C6H3BrClF
SMILES
C1=CC(=C(C=C1Br)Cl)F
InChI
InChI=1S/C6H3BrClF/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKey
CJTIWGBQCVYTQE-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-1-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

970
Patents

207.90907 Da
Monoisotopic Mass

3.4
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

literature stripe

Patent stripe

patents stripe