CID 45358382

5-bromo-3-chloro-2-fluorobenzotrifluoride

Structural Information

Molecular Formula
C7H2BrClF4
SMILES
C1=C(C=C(C(=C1C(F)(F)F)F)Cl)Br
InChI
InChI=1S/C7H2BrClF4/c8-3-1-4(7(11,12)13)6(10)5(9)2-3/h1-2H
InChIKey
BBEDFMIZRIVTRI-UHFFFAOYSA-N
Compound name
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.89645 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.90373 144.6
[M+Na]+ 298.88567 160.3
[M-H]- 274.88917 147.0
[M+NH4]+ 293.93027 166.0
[M+K]+ 314.85961 146.4
[M+H-H2O]+ 258.89371 143.4
[M+HCOO]- 320.89465 157.4
[M+CH3COO]- 334.91030 193.3
[M+Na-2H]- 296.87112 150.3
[M]+ 275.89590 160.1
[M]- 275.89700 160.1
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