CID 79018104

4-chloro-2-[3-(trifluoromethyl)phenyl]phenol

Structural Information

Molecular Formula
C13H8ClF3O
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C13H8ClF3O/c14-10-4-5-12(18)11(7-10)8-2-1-3-9(6-8)13(15,16)17/h1-7,18H
InChIKey
IKLVOJWCLDVOIC-UHFFFAOYSA-N
Compound name
4-chloro-2-[3-(trifluoromethyl)phenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.02158 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.02886 152.5
[M+Na]+ 295.01080 163.5
[M-H]- 271.01430 154.8
[M+NH4]+ 290.05540 169.5
[M+K]+ 310.98474 156.8
[M+H-H2O]+ 255.01884 144.5
[M+HCOO]- 317.01978 166.7
[M+CH3COO]- 331.03543 193.6
[M+Na-2H]- 292.99625 157.0
[M]+ 272.02103 150.4
[M]- 272.02213 150.4
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.