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 159.3
[M+NH4]+ 264.06235 157.8
[M+K]+ 284.99169 149.6
[M-H]- 245.02125 152.5
[M+Na-2H]- 267.00320 154.0
[M]+ 246.02798 152.0
[M]- 246.02908 152.0
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.