CID 84820646

2-bromo-1,3-dichloro-4-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C7H2BrCl2F3
SMILES
C1=CC(=C(C(=C1C(F)(F)F)Cl)Br)Cl
InChI
InChI=1S/C7H2BrCl2F3/c8-5-4(9)2-1-3(6(5)10)7(11,12)13/h1-2H
InChIKey
UQYVMQFUNZXYEK-UHFFFAOYSA-N
Compound name
2-bromo-1,3-dichloro-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

291.8669 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.87418 144.6
[M+Na]+ 314.85612 160.8
[M-H]- 290.85962 147.6
[M+NH4]+ 309.90072 165.9
[M+K]+ 330.83006 145.9
[M+H-H2O]+ 274.86416 144.9
[M+HCOO]- 336.86510 153.7
[M+CH3COO]- 350.88075 194.9
[M+Na-2H]- 312.84157 150.6
[M]+ 291.86635 162.1
[M]- 291.86745 162.1
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