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

31
Patents

269.95032 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.95760 149.1
[M+Na]+ 292.93954 161.8
[M-H]- 268.94304 150.9
[M+NH4]+ 287.98414 168.8
[M+K]+ 308.91348 150.2
[M+H-H2O]+ 252.94758 147.4
[M+HCOO]- 314.94852 165.8
[M+CH3COO]- 328.96417 190.0
[M+Na-2H]- 290.92499 155.3
[M]+ 269.94977 164.8
[M]- 269.95087 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