CID 1268256

4-bromo-3,5-dichlorobenzotrifluoride

Structural Information

Molecular Formula
C7H2BrCl2F3
SMILES
C1=C(C=C(C(=C1Cl)Br)Cl)C(F)(F)F
InChI
InChI=1S/C7H2BrCl2F3/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H
InChIKey
IQHSSYROJYPFDV-UHFFFAOYSA-N
Compound name
2-bromo-1,3-dichloro-5-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8560
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

literature stripe

Patent stripe

patents stripe