CID 51108

Tetramethylammonium beta-dithionaphthoate

Structural Information

Molecular Formula
C11H8S2
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=S)S
InChI
InChI=1S/C11H8S2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
InChIKey
AWLFSCHAGVTSIM-UHFFFAOYSA-N
Compound name
naphthalene-2-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

204.00674 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01402 136.6
[M+Na]+ 226.99596 146.0
[M-H]- 202.99946 141.3
[M+NH4]+ 222.04056 157.6
[M+K]+ 242.96990 140.7
[M+H-H2O]+ 187.00400 131.5
[M+HCOO]- 249.00494 148.8
[M+CH3COO]- 263.02059 149.8
[M+Na-2H]- 224.98141 140.3
[M]+ 204.00619 138.4
[M]- 204.00729 138.4
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.