CID 3088356

Brn 3610933

Structural Information

Molecular Formula
C10H10O3S
SMILES
CCOC(=S)C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C10H10O3S/c1-2-11-10(14)7-3-4-8-9(5-7)13-6-12-8/h3-5H,2,6H2,1H3
InChIKey
UHYLUZHRHCRMFH-UHFFFAOYSA-N
Compound name
O-ethyl 1,3-benzodioxole-5-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.03506 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.042336 142.7
[M+Na]+ 233.024278 151.6
[M-H]- 209.027784 149.0
[M+NH4]+ 228.068883 162.6
[M+K]+ 248.998218 151.8
[M+H-H2O]+ 193.032320 138.3
[M+HCOO]- 255.033261 159.4
[M+CH3COO]- 269.048911 182.6
[M+Na-2H]- 231.009726 147.0
[M]+ 210.03451142 148.0
[M]- 210.03560858 148.0
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.