CID 15712114

53552-18-4

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]+ 167.02736 128.7
[M+Na]+ 189.00930 141.7
[M-H]- 165.01280 131.0
[M+NH4]+ 184.05390 150.4
[M+K]+ 204.98324 138.1
[M+H-H2O]+ 149.01734 123.4
[M+HCOO]- 211.01828 147.3
[M+CH3COO]- 225.03393 143.6
[M+Na-2H]- 186.99475 134.4
[M]+ 166.01953 132.9
[M]- 166.02063 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.