CID 2354676

1-(2,4-difluorophenyl)-3-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C10H9F2N3
SMILES
CC1=NN(C(=C1)N)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C10H9F2N3/c1-6-4-10(13)15(14-6)9-3-2-7(11)5-8(9)12/h2-5H,13H2,1H3
InChIKey
HADQWWHDMNLDJR-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-5-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

209.07645 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08373 141.1
[M+Na]+ 232.06567 152.5
[M-H]- 208.06917 143.4
[M+NH4]+ 227.11027 159.2
[M+K]+ 248.03961 147.9
[M+H-H2O]+ 192.07371 131.7
[M+HCOO]- 254.07465 163.3
[M+CH3COO]- 268.09030 189.4
[M+Na-2H]- 230.05112 144.1
[M]+ 209.07590 138.3
[M]- 209.07700 138.4
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

patents stripe