CID 104083620

5-iodo-1-phenyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H7IN2O2
SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)I
InChI
InChI=1S/C10H7IN2O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKey
GGODEEOENNCYTE-UHFFFAOYSA-N
Compound name
5-iodo-1-phenylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.95523 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.96251 148.4
[M+Na]+ 336.94445 150.6
[M-H]- 312.94795 144.8
[M+NH4]+ 331.98905 160.8
[M+K]+ 352.91839 153.2
[M+H-H2O]+ 296.95249 137.3
[M+HCOO]- 358.95343 165.2
[M+CH3COO]- 372.96908 190.3
[M+Na-2H]- 334.92990 140.9
[M]+ 313.95468 145.8
[M]- 313.95578 145.8
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.