CID 107344737

Methyl 4-amino-1-(difluoromethyl)-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C6H7F2N3O2
SMILES
COC(=O)C1=NN(C=C1N)C(F)F
InChI
InChI=1S/C6H7F2N3O2/c1-13-5(12)4-3(9)2-11(10-4)6(7)8/h2,6H,9H2,1H3
InChIKey
NIDNZBIVWSNHNT-UHFFFAOYSA-N
Compound name
methyl 4-amino-1-(difluoromethyl)pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05063 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05791 134.7
[M+Na]+ 214.03985 144.0
[M-H]- 190.04335 133.4
[M+NH4]+ 209.08445 153.0
[M+K]+ 230.01379 143.0
[M+H-H2O]+ 174.04789 126.0
[M+HCOO]- 236.04883 155.3
[M+CH3COO]- 250.06448 183.9
[M+Na-2H]- 212.02530 136.5
[M]+ 191.05008 132.8
[M]- 191.05118 132.8
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.