CID 16770935

926266-50-4

Structural Information

Molecular Formula
C11H8Cl2N2O2
SMILES
CC1=C(C=NN1C2=C(C=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C11H8Cl2N2O2/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
PXMZMKUIXYWQBQ-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-5-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

269.99628 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.00356 154.5
[M+Na]+ 292.98550 169.5
[M+NH4]+ 288.03010 162.1
[M+K]+ 308.95944 164.5
[M-H]- 268.98900 156.2
[M+Na-2H]- 290.97095 161.3
[M]+ 269.99573 157.7
[M]- 269.99683 157.7
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