CID 2782217

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

Structural Information

Molecular Formula
C7H3BrF4O
SMILES
C1=CC(=C(C=C1Br)F)OC(F)(F)F
InChI
InChI=1S/C7H3BrF4O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
InChIKey
SBSFDYRKNUCGBZ-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-1-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

442
Patents

257.93033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.93761 144.7
[M+Na]+ 280.91955 158.4
[M-H]- 256.92305 146.8
[M+NH4]+ 275.96415 165.6
[M+K]+ 296.89349 147.1
[M+H-H2O]+ 240.92759 142.3
[M+HCOO]- 302.92853 161.9
[M+CH3COO]- 316.94418 190.5
[M+Na-2H]- 278.90500 151.2
[M]+ 257.92978 159.2
[M]- 257.93088 159.2
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

patents stripe