CID 20773422

3-methyl-5-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C8H7F3O
SMILES
CC1=CC(=CC(=C1)O)C(F)(F)F
InChI
InChI=1S/C8H7F3O/c1-5-2-6(8(9,10)11)4-7(12)3-5/h2-4,12H,1H3
InChIKey
VOOZRDXCKRUKTQ-UHFFFAOYSA-N
Compound name
3-methyl-5-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

176.0449 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05218 139.5
[M+Na]+ 199.03412 149.4
[M+NH4]+ 194.07872 145.7
[M+K]+ 215.00806 144.2
[M-H]- 175.03762 136.6
[M+Na-2H]- 197.01957 143.9
[M]+ 176.04435 139.9
[M]- 176.04545 139.9
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