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 130.3
[M+Na]+ 189.00930 144.4
[M+NH4]+ 184.05390 139.7
[M+K]+ 204.98324 137.8
[M-H]- 165.01280 131.9
[M+Na-2H]- 186.99475 136.6
[M]+ 166.01953 133.3
[M]- 166.02063 133.3
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.