CID 19754711

1,3-bis(difluoromethyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C6H4F4N2O2
SMILES
C1=C(C(=NN1C(F)F)C(F)F)C(=O)O
InChI
InChI=1S/C6H4F4N2O2/c7-4(8)3-2(5(13)14)1-12(11-3)6(9)10/h1,4,6H,(H,13,14)
InChIKey
ZTYIAENWCNQZGI-UHFFFAOYSA-N
Compound name
1,3-bis(difluoromethyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

212.02089 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02817 148.1
[M+Na]+ 235.01011 153.6
[M+NH4]+ 230.05471 150.6
[M+K]+ 250.98405 152.8
[M-H]- 211.01361 140.9
[M+Na-2H]- 232.99556 148.0
[M]+ 212.02034 146.1
[M]- 212.02144 146.1
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