CID 590850

Phen-1,4-diol, 2,3-dimethyl-5-trifluoromethyl-

Structural Information

Molecular Formula
C9H9F3O2
SMILES
CC1=C(C=C(C(=C1C)O)C(F)(F)F)O
InChI
InChI=1S/C9H9F3O2/c1-4-5(2)8(14)6(3-7(4)13)9(10,11)12/h3,13-14H,1-2H3
InChIKey
TYCIZVUOGKUPFF-UHFFFAOYSA-N
Compound name
2,3-dimethyl-5-(trifluoromethyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.05547 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.062746 137.7
[M+Na]+ 229.044688 148.6
[M-H]- 205.048194 136.1
[M+NH4]+ 224.089293 156.4
[M+K]+ 245.018628 145.2
[M+H-H2O]+ 189.052730 131.1
[M+HCOO]- 251.053671 154.9
[M+CH3COO]- 265.069321 182.9
[M+Na-2H]- 227.030136 141.2
[M]+ 206.05492142 134.1
[M]- 206.05601858 134.1
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.