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]+ 211.04234 142.9
[M+Na]+ 233.02428 154.6
[M+NH4]+ 228.06888 152.0
[M+K]+ 248.99822 149.2
[M-H]- 209.02778 147.2
[M+Na-2H]- 231.00973 146.3
[M]+ 210.03451 146.3
[M]- 210.03561 146.3
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.