CID 135465493

2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol

Structural Information

Molecular Formula
C16H11F3N2O
SMILES
C1=CC=C(C(=C1)C2=NN(C=C2)C3=CC=CC=C3C(F)(F)F)O
InChI
InChI=1S/C16H11F3N2O/c17-16(18,19)12-6-2-3-7-14(12)21-10-9-13(20-21)11-5-1-4-8-15(11)22/h1-10,22H
InChIKey
ZDWBTPMGKAHGGF-UHFFFAOYSA-N
Compound name
2-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.08234 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08962 165.8
[M+Na]+ 327.07156 175.8
[M-H]- 303.07506 168.7
[M+NH4]+ 322.11616 179.1
[M+K]+ 343.04550 169.2
[M+H-H2O]+ 287.07960 154.5
[M+HCOO]- 349.08054 182.9
[M+CH3COO]- 363.09619 176.6
[M+Na-2H]- 325.05701 168.8
[M]+ 304.08179 161.8
[M]- 304.08289 161.8
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.