CID 85639

4-nitrophenyl dimethyldithiocarbamate

Structural Information

Molecular Formula
C9H10N2O2S2
SMILES
CN(C)C(=S)SC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O2S2/c1-10(2)9(14)15-8-5-3-7(4-6-8)11(12)13/h3-6H,1-2H3
InChIKey
BSPPFEBCCBLHGW-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.01837 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.025646 147.4
[M+Na]+ 265.007588 153.1
[M-H]- 241.011094 151.9
[M+NH4]+ 260.052193 164.6
[M+K]+ 280.981528 145.6
[M+H-H2O]+ 225.015630 144.8
[M+HCOO]- 287.016571 161.9
[M+CH3COO]- 301.032221 189.0
[M+Na-2H]- 262.993036 149.5
[M]+ 242.01782142 147.1
[M]- 242.01891858 147.1
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.