CID 50896661

1284220-49-0

Structural Information

Molecular Formula
C4H5F2N3
SMILES
C1=C(NN=C1N)C(F)F
InChI
InChI=1S/C4H5F2N3/c5-4(6)2-1-3(7)9-8-2/h1,4H,(H3,7,8,9)
InChIKey
CRWZZOMNSRUIMA-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

133.04515 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.05243 121.0
[M+Na]+ 156.03437 129.9
[M-H]- 132.03787 118.0
[M+NH4]+ 151.07897 140.8
[M+K]+ 172.00831 127.6
[M+H-H2O]+ 116.04241 112.7
[M+HCOO]- 178.04335 141.1
[M+CH3COO]- 192.05900 170.6
[M+Na-2H]- 154.01982 125.2
[M]+ 133.04460 114.6
[M]- 133.04570 114.6
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