CID 4079128

618098-42-3

Structural Information

Molecular Formula
C16H14FN3
SMILES
CC1=CC=CC=C1C2=NN(C(=C2)N)C3=CC=CC=C3F
InChI
InChI=1S/C16H14FN3/c1-11-6-2-3-7-12(11)14-10-16(18)20(19-14)15-9-5-4-8-13(15)17/h2-10H,18H2,1H3
InChIKey
TVMMWDQPBKGDJJ-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-5-(2-methylphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1172 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12448 162.3
[M+Na]+ 290.10642 177.1
[M+NH4]+ 285.15102 170.3
[M+K]+ 306.08036 170.8
[M-H]- 266.10992 167.2
[M+Na-2H]- 288.09187 172.1
[M]+ 267.11665 165.8
[M]- 267.11775 165.8
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.