CID 3032595

13037-41-7

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 146.8
[M+Na]+ 265.00759 152.4
[M-H]- 241.01109 149.8
[M+NH4]+ 260.05219 163.4
[M+K]+ 280.98153 143.4
[M+H-H2O]+ 225.01563 144.4
[M+HCOO]- 287.01657 160.9
[M+CH3COO]- 301.03222 185.5
[M+Na-2H]- 262.99304 149.5
[M]+ 242.01782 145.2
[M]- 242.01892 145.2
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.