CID 122164501

3-(bromomethyl)-5-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C8H6BrF3O
SMILES
C1=C(C=C(C=C1C(F)(F)F)O)CBr
InChI
InChI=1S/C8H6BrF3O/c9-4-5-1-6(8(10,11)12)3-7(13)2-5/h1-3,13H,4H2
InChIKey
DRSLBTMSQZATMU-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-5-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.95541 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96269 155.1
[M+Na]+ 276.94463 156.6
[M+NH4]+ 271.98923 157.9
[M+K]+ 292.91857 156.3
[M-H]- 252.94813 151.4
[M+Na-2H]- 274.93008 156.1
[M]+ 253.95486 153.0
[M]- 253.95596 153.0
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.