CID 2757194

3-bromo-4-(trifluoromethoxy)phenol

Structural Information

Molecular Formula
C7H4BrF3O2
SMILES
C1=CC(=C(C=C1O)Br)OC(F)(F)F
InChI
InChI=1S/C7H4BrF3O2/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3,12H
InChIKey
GVPNWQKCKBFPBG-UHFFFAOYSA-N
Compound name
3-bromo-4-(trifluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

255.93468 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.941956 144.4
[M+Na]+ 278.923898 157.4
[M-H]- 254.927404 146.3
[M+NH4]+ 273.968503 164.6
[M+K]+ 294.897838 146.1
[M+H-H2O]+ 238.931940 142.8
[M+HCOO]- 300.932881 161.4
[M+CH3COO]- 314.948531 187.2
[M+Na-2H]- 276.909346 151.1
[M]+ 255.93413142 159.7
[M]- 255.93522858 159.7
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