CID 15655429

6-aminobenzo[d][1,3]dioxole-5-thiol

Structural Information

Molecular Formula
C7H7NO2S
SMILES
C1OC2=C(O1)C=C(C(=C2)N)S
InChI
InChI=1S/C7H7NO2S/c8-4-1-5-6(2-7(4)11)10-3-9-5/h1-2,11H,3,8H2
InChIKey
FOKRECJRSSWYCI-UHFFFAOYSA-N
Compound name
6-amino-1,3-benzodioxole-5-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

169.01974 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02702 130.9
[M+Na]+ 192.00896 142.8
[M+NH4]+ 187.05356 140.7
[M+K]+ 207.98290 137.7
[M-H]- 168.01246 136.4
[M+Na-2H]- 189.99441 134.9
[M]+ 169.01919 134.6
[M]- 169.02029 134.6
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