CID 15712114

2,1,3-benzothiadiazol-2-(s(sup iv))-4-ol, 5-methyl-

Structural Information

Molecular Formula
C7H6N2OS
SMILES
CC1=C(C2=NSN=C2C=C1)O
InChI
InChI=1S/C7H6N2OS/c1-4-2-3-5-6(7(4)10)9-11-8-5/h2-3,10H,1H3
InChIKey
FNNCFRCSZZTMFD-UHFFFAOYSA-N
Compound name
5-methyl-2,1,3-benzothiadiazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02008 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.027356 128.7
[M+Na]+ 189.009298 141.7
[M-H]- 165.012804 131.0
[M+NH4]+ 184.053903 150.4
[M+K]+ 204.983238 138.1
[M+H-H2O]+ 149.017340 123.4
[M+HCOO]- 211.018281 147.3
[M+CH3COO]- 225.033931 143.6
[M+Na-2H]- 186.994746 134.4
[M]+ 166.01953142 132.9
[M]- 166.02062858 132.9
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.