CID 163715

103053-08-3

Structural Information

Molecular Formula
C11H8ClN3O3
SMILES
C1=CC(=CC(=C1)Cl)N2C(=C(C=N2)C(=O)O)C(=O)N
InChI
InChI=1S/C11H8ClN3O3/c12-6-2-1-3-7(4-6)15-9(10(13)16)8(5-14-15)11(17)18/h1-5H,(H2,13,16)(H,17,18)
InChIKey
RGGCHHCVNLUMKH-UHFFFAOYSA-N
Compound name
5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

265.02542 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.03270 154.5
[M+Na]+ 288.01464 164.2
[M-H]- 264.01814 157.9
[M+NH4]+ 283.05924 169.7
[M+K]+ 303.98858 159.4
[M+H-H2O]+ 248.02268 147.3
[M+HCOO]- 310.02362 171.4
[M+CH3COO]- 324.03927 193.8
[M+Na-2H]- 286.00009 155.8
[M]+ 265.02487 155.7
[M]- 265.02597 155.7
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