CID 67597

1-bromo-2,4,5-trifluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

776
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.