CID 81583324

1539647-86-3

Structural Information

Molecular Formula
C8H9N5O3S
SMILES
CN1N=C(N=N1)NS(=O)(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C8H9N5O3S/c1-13-10-8(9-12-13)11-17(15,16)7-4-2-6(14)3-5-7/h2-5,14H,1H3,(H,10,11)
InChIKey
SODAIHKMHGLXBQ-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(2-methyltetrazol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.04262 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04990 153.8
[M+Na]+ 278.03184 164.6
[M-H]- 254.03534 155.6
[M+NH4]+ 273.07644 166.9
[M+K]+ 294.00578 160.4
[M+H-H2O]+ 238.03988 145.9
[M+HCOO]- 300.04082 169.6
[M+CH3COO]- 314.05647 188.8
[M+Na-2H]- 276.01729 158.7
[M]+ 255.04207 156.2
[M]- 255.04317 156.2
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.