CID 65316544

1-[(2,5-dichlorophenyl)methyl]-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C11H8Cl2N2O2
SMILES
C1=CC(=C(C=C1Cl)CN2C=CC(=N2)C(=O)O)Cl
InChI
InChI=1S/C11H8Cl2N2O2/c12-8-1-2-9(13)7(5-8)6-15-4-3-10(14-15)11(16)17/h1-5H,6H2,(H,16,17)
InChIKey
BNMCXJNOQKUHAB-UHFFFAOYSA-N
Compound name
1-[(2,5-dichlorophenyl)methyl]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.99628 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.00356 154.5
[M+Na]+ 292.98550 169.2
[M+NH4]+ 288.03010 162.1
[M+K]+ 308.95944 164.0
[M-H]- 268.98900 156.1
[M+Na-2H]- 290.97095 161.5
[M]+ 269.99573 157.5
[M]- 269.99683 157.5
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.

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No patent data available for this compound.