CID 165817335

1-bromo-3-chloro-2-fluoro-4-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H2BrClF4O
SMILES
C1=CC(=C(C(=C1OC(F)(F)F)Cl)F)Br
InChI
InChI=1S/C7H2BrClF4O/c8-3-1-2-4(5(9)6(3)10)14-7(11,12)13/h1-2H
InChIKey
DFEOOBLAXBYFDV-UHFFFAOYSA-N
Compound name
1-bromo-3-chloro-2-fluoro-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.89136 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.89864 147.4
[M+Na]+ 314.88058 163.0
[M-H]- 290.88408 149.7
[M+NH4]+ 309.92518 168.1
[M+K]+ 330.85452 149.6
[M+H-H2O]+ 274.88862 145.9
[M+HCOO]- 336.88956 160.4
[M+CH3COO]- 350.90521 195.1
[M+Na-2H]- 312.86603 153.2
[M]+ 291.89081 164.2
[M]- 291.89191 164.2
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.