CID 20488434

4-methoxy-3-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C8H7F3O2
SMILES
COC1=C(C=C(C=C1)O)C(F)(F)F
InChI
InChI=1S/C8H7F3O2/c1-13-7-3-2-5(12)4-6(7)8(9,10)11/h2-4,12H,1H3
InChIKey
SSPYTHVQEXWESL-UHFFFAOYSA-N
Compound name
4-methoxy-3-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

192.03981 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04709 142.4
[M+Na]+ 215.02903 151.9
[M+NH4]+ 210.07363 148.0
[M+K]+ 231.00297 147.1
[M-H]- 191.03253 139.0
[M+Na-2H]- 213.01448 146.3
[M]+ 192.03926 142.5
[M]- 192.04036 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe