CID 53408451

869783-22-2

Structural Information

Molecular Formula
C12H8N2O2S
SMILES
C1=CSC(=C1)C2=CC3=C(C=C2)C(=NN3)C(=O)O
InChI
InChI=1S/C12H8N2O2S/c15-12(16)11-8-4-3-7(6-9(8)13-14-11)10-2-1-5-17-10/h1-6H,(H,13,14)(H,15,16)
InChIKey
DIDOERKUAPXZKL-UHFFFAOYSA-N
Compound name
6-thiophen-2-yl-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.03065 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03793 151.1
[M+Na]+ 267.01987 163.8
[M+NH4]+ 262.06447 159.3
[M+K]+ 282.99381 159.6
[M-H]- 243.02337 153.1
[M+Na-2H]- 265.00532 157.2
[M]+ 244.03010 153.8
[M]- 244.03120 153.8
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.