CID 45789872

(4-bromo-2-(trifluoromethoxy)phenyl)methanol

Structural Information

Molecular Formula
C8H6BrF3O2
SMILES
C1=CC(=C(C=C1Br)OC(F)(F)F)CO
InChI
InChI=1S/C8H6BrF3O2/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12/h1-3,13H,4H2
InChIKey
CMVFMHREHCVREX-UHFFFAOYSA-N
Compound name
[4-bromo-2-(trifluoromethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

269.95032 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.957596 149.1
[M+Na]+ 292.939538 161.8
[M-H]- 268.943044 150.9
[M+NH4]+ 287.984143 168.8
[M+K]+ 308.913478 150.2
[M+H-H2O]+ 252.947580 147.4
[M+HCOO]- 314.948521 165.8
[M+CH3COO]- 328.964171 190.0
[M+Na-2H]- 290.924986 155.3
[M]+ 269.94977142 164.8
[M]- 269.95086858 164.8
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