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 133.6
[M+Na]+ 215.02903 143.5
[M-H]- 191.03253 132.8
[M+NH4]+ 210.07363 153.0
[M+K]+ 231.00297 141.1
[M+H-H2O]+ 175.03707 126.3
[M+HCOO]- 237.03801 152.7
[M+CH3COO]- 251.05366 180.0
[M+Na-2H]- 213.01448 139.4
[M]+ 192.03926 130.8
[M]- 192.04036 130.8
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