CID 2733255

1-bromo-2,3,4-trifluorobenzene

Structural Information

Molecular Formula
C6H2BrF3
SMILES
C1=CC(=C(C(=C1F)F)F)Br
InChI
InChI=1S/C6H2BrF3/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKey
MUUAQFJJUGVBGB-UHFFFAOYSA-N
Compound name
1-bromo-2,3,4-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

774
Patents

209.9292 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.93648 130.8
[M+Na]+ 232.91842 145.4
[M-H]- 208.92192 134.5
[M+NH4]+ 227.96302 153.8
[M+K]+ 248.89236 134.0
[M+H-H2O]+ 192.92646 129.6
[M+HCOO]- 254.92740 150.7
[M+CH3COO]- 268.94305 184.5
[M+Na-2H]- 230.90387 137.6
[M]+ 209.92865 145.9
[M]- 209.92975 145.9
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

patents stripe