CID 16773941

1-(2,4-difluorophenyl)-5-methyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H8F2N2O2
SMILES
CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)O
InChI
InChI=1S/C11H8F2N2O2/c1-6-8(11(16)17)5-14-15(6)10-3-2-7(12)4-9(10)13/h2-5H,1H3,(H,16,17)
InChIKey
RJBXTZNSOMPKAC-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

238.05539 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06267 152.8
[M+Na]+ 261.04461 164.0
[M+NH4]+ 256.08921 158.1
[M+K]+ 277.01855 160.8
[M-H]- 237.04811 151.2
[M+Na-2H]- 259.03006 157.4
[M]+ 238.05484 153.6
[M]- 238.05594 153.6
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