CID 83702487

1506623-91-1

Structural Information

Molecular Formula
C10H9F2N3
SMILES
CN1C(=C(C=N1)N)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C10H9F2N3/c1-15-10(9(13)5-14-15)7-3-2-6(11)4-8(7)12/h2-5H,13H2,1H3
InChIKey
XMWTXJZTVCEVRJ-UHFFFAOYSA-N
Compound name
5-(2,4-difluorophenyl)-1-methylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07645 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08373 144.3
[M+Na]+ 232.06567 156.1
[M+NH4]+ 227.11027 151.0
[M+K]+ 248.03961 151.7
[M-H]- 208.06917 144.8
[M+Na-2H]- 230.05112 150.6
[M]+ 209.07590 145.9
[M]- 209.07700 145.9
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.