CID 3064790

Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, o-butyl ester

Structural Information

Molecular Formula
C10H12O3S2
SMILES
CCCCOC(=S)SC(=O)C1=CC=CO1
InChI
InChI=1S/C10H12O3S2/c1-2-3-6-13-10(14)15-9(11)8-5-4-7-12-8/h4-5,7H,2-3,6H2,1H3
InChIKey
ZNUDEYBHUQJHCK-UHFFFAOYSA-N
Compound name
O-butyl furan-2-carbonylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.02278 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03006 154.6
[M+Na]+ 267.01200 162.1
[M-H]- 243.01550 158.8
[M+NH4]+ 262.05660 173.3
[M+K]+ 282.98594 160.1
[M+H-H2O]+ 227.02004 149.2
[M+HCOO]- 289.02098 167.0
[M+CH3COO]- 303.03663 186.9
[M+Na-2H]- 264.99745 153.2
[M]+ 244.02223 160.5
[M]- 244.02333 160.5
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.