CID 75357267

5-(difluoromethoxy)-1-methyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C6H6F2N2O3
SMILES
CN1C(=CC(=N1)C(=O)O)OC(F)F
InChI
InChI=1S/C6H6F2N2O3/c1-10-4(13-6(7)8)2-3(9-10)5(11)12/h2,6H,1H3,(H,11,12)
InChIKey
LPRQZRAJIVPWFO-UHFFFAOYSA-N
Compound name
5-(difluoromethoxy)-1-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

192.03465 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04193 139.2
[M+Na]+ 215.02387 147.0
[M+NH4]+ 210.06847 143.4
[M+K]+ 230.99781 146.3
[M-H]- 191.02737 134.2
[M+Na-2H]- 213.00932 140.7
[M]+ 192.03410 138.2
[M]- 192.03520 138.2
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