CID 676239

720667-84-5

Structural Information

Molecular Formula
C14H11ClF3NO2
SMILES
C1=CC(=CC=C1NCC2=C(C=CC(=C2)Cl)O)OC(F)(F)F
InChI
InChI=1S/C14H11ClF3NO2/c15-10-1-6-13(20)9(7-10)8-19-11-2-4-12(5-3-11)21-14(16,17)18/h1-7,19-20H,8H2
InChIKey
OKVLONMRYYKLMP-UHFFFAOYSA-N
Compound name
4-chloro-2-[[4-(trifluoromethoxy)anilino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.04303 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05031 164.8
[M+Na]+ 340.03225 174.3
[M-H]- 316.03575 166.7
[M+NH4]+ 335.07685 179.5
[M+K]+ 356.00619 167.9
[M+H-H2O]+ 300.04029 156.0
[M+HCOO]- 362.04123 179.9
[M+CH3COO]- 376.05688 203.5
[M+Na-2H]- 338.01770 169.2
[M]+ 317.04248 163.8
[M]- 317.04358 163.8
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

No patent data available for this compound.