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 154.8
[M+Na]+ 288.01464 166.5
[M+NH4]+ 283.05924 160.6
[M+K]+ 303.98858 164.1
[M-H]- 264.01814 155.6
[M+Na-2H]- 286.00009 160.2
[M]+ 265.02487 156.5
[M]- 265.02597 156.5
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.

Patent stripe

patents stripe