CID 44146188

72076-52-9

Structural Information

Molecular Formula
C11H11NO4S2
SMILES
COC(=O)C1=CC(=CC(=C1)NC(=S)S)C(=O)OC
InChI
InChI=1S/C11H11NO4S2/c1-15-9(13)6-3-7(10(14)16-2)5-8(4-6)12-11(17)18/h3-5H,1-2H3,(H2,12,17,18)
InChIKey
FQQBMEYWUULVNC-UHFFFAOYSA-N
Compound name
[3,5-bis(methoxycarbonyl)phenyl]carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.01294 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.02022 160.1
[M+Na]+ 308.00216 166.6
[M-H]- 284.00566 163.4
[M+NH4]+ 303.04676 175.9
[M+K]+ 323.97610 163.0
[M+H-H2O]+ 268.01020 153.3
[M+HCOO]- 330.01114 171.7
[M+CH3COO]- 344.02679 199.1
[M+Na-2H]- 305.98761 158.5
[M]+ 285.01239 164.9
[M]- 285.01349 164.9
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.