CID 15919091

5-methyl-2-(trifluoromethyl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

176.0449 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.052176 130.2
[M+Na]+ 199.034118 140.2
[M-H]- 175.037624 129.5
[M+NH4]+ 194.078723 150.3
[M+K]+ 215.008058 137.3
[M+H-H2O]+ 159.042160 123.3
[M+HCOO]- 221.043101 149.1
[M+CH3COO]- 235.058751 177.9
[M+Na-2H]- 197.019566 136.0
[M]+ 176.04435142 125.9
[M]- 176.04544858 125.9
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