CID 459470

1h-indazole-5-sulfonic acid

Structural Information

Molecular Formula
C7H6N2O3S
SMILES
C1=CC2=C(C=C1S(=O)(=O)O)C=NN2
InChI
InChI=1S/C7H6N2O3S/c10-13(11,12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)(H,10,11,12)
InChIKey
MXWSQZWVKUTEEI-UHFFFAOYSA-N
Compound name
1H-indazole-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

198.00992 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01720 137.8
[M+Na]+ 220.99914 149.7
[M-H]- 197.00264 138.5
[M+NH4]+ 216.04374 156.8
[M+K]+ 236.97308 145.5
[M+H-H2O]+ 181.00718 132.7
[M+HCOO]- 243.00812 153.9
[M+CH3COO]- 257.02377 172.6
[M+Na-2H]- 218.98459 144.6
[M]+ 198.00937 140.5
[M]- 198.01047 140.5
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