CID 121234841

2088942-34-9

Structural Information

Molecular Formula
C7HBrF6
SMILES
C1=C(C(=C(C(=C1F)F)F)Br)C(F)(F)F
InChI
InChI=1S/C7HBrF6/c8-4-2(7(12,13)14)1-3(9)5(10)6(4)11/h1H
InChIKey
CDRPJUUNTSDISO-UHFFFAOYSA-N
Compound name
4-bromo-1,2,3-trifluoro-5-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.91656 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.92384 148.7
[M+Na]+ 300.90578 164.1
[M-H]- 276.90928 148.8
[M+NH4]+ 295.95038 169.0
[M+K]+ 316.87972 151.5
[M+H-H2O]+ 260.91382 144.9
[M+HCOO]- 322.91476 163.5
[M+CH3COO]- 336.93041 196.3
[M+Na-2H]- 298.89123 152.4
[M]+ 277.91601 159.8
[M]- 277.91711 159.8
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.