CID 22831892

1-(3,4-dichlorophenyl)-5-methyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C11H8Cl2N2O2
SMILES
CC1=CC(=NN1C2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C11H8Cl2N2O2/c1-6-4-10(11(16)17)14-15(6)7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H,16,17)
InChIKey
GYHJSMVXSOHEEQ-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.99628 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.00356 153.6
[M+Na]+ 292.98550 165.5
[M-H]- 268.98900 156.8
[M+NH4]+ 288.03010 170.2
[M+K]+ 308.95944 159.4
[M+H-H2O]+ 252.99354 147.3
[M+HCOO]- 314.99448 165.3
[M+CH3COO]- 329.01013 192.8
[M+Na-2H]- 290.97095 155.0
[M]+ 269.99573 157.6
[M]- 269.99683 157.6
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

No patent data available for this compound.