CID 3032595

Ethyl n-(4-nitrophenyl)carbamodithioate

Structural Information

Molecular Formula
C9H10N2O2S2
SMILES
CCSC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O2S2/c1-2-15-9(14)10-7-3-5-8(6-4-7)11(12)13/h3-6H,2H2,1H3,(H,10,14)
InChIKey
MZSQZEREUTXWQK-UHFFFAOYSA-N
Compound name
ethyl N-(4-nitrophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.01837 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02565 145.0
[M+Na]+ 265.00759 155.6
[M+NH4]+ 260.05219 153.5
[M+K]+ 280.98153 148.9
[M-H]- 241.01109 148.8
[M+Na-2H]- 262.99304 150.2
[M]+ 242.01782 148.3
[M]- 242.01892 148.3
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.