CID 2363675

1-(3-chlorophenyl)-3-methyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C13H9ClN2O2S
SMILES
CC1=NN(C2=C1C=C(S2)C(=O)O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C13H9ClN2O2S/c1-7-10-6-11(13(17)18)19-12(10)16(15-7)9-4-2-3-8(14)5-9/h2-6H,1H3,(H,17,18)
InChIKey
PQNOKMJVZJDVDG-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.00732 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.01460 163.1
[M+Na]+ 314.99654 176.8
[M-H]- 291.00004 169.3
[M+NH4]+ 310.04114 182.3
[M+K]+ 330.97048 170.9
[M+H-H2O]+ 275.00458 157.9
[M+HCOO]- 337.00552 176.7
[M+CH3COO]- 351.02117 176.5
[M+Na-2H]- 312.98199 162.5
[M]+ 292.00677 170.8
[M]- 292.00787 170.8
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.