CID 73995732

Naphthalene-1,4-dithiocarboxamide

Structural Information

Molecular Formula
C12H10N2S2
SMILES
C1=CC=C2C(=C1)C(=CC=C2C(=S)N)C(=S)N
InChI
InChI=1S/C12H10N2S2/c13-11(15)9-5-6-10(12(14)16)8-4-2-1-3-7(8)9/h1-6H,(H2,13,15)(H2,14,16)
InChIKey
RMVWFHNLLYPEGN-UHFFFAOYSA-N
Compound name
naphthalene-1,4-dicarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02853 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03581 148.5
[M+Na]+ 269.01775 156.2
[M-H]- 245.02125 151.5
[M+NH4]+ 264.06235 166.4
[M+K]+ 284.99169 149.2
[M+H-H2O]+ 229.02579 142.6
[M+HCOO]- 291.02673 159.6
[M+CH3COO]- 305.04238 159.5
[M+Na-2H]- 267.00320 149.6
[M]+ 246.02798 146.3
[M]- 246.02908 146.3
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.