CID 6348

Carbon disulfide

Structural Information

Molecular Formula
CS2
SMILES
C(=S)=S
InChI
InChI=1S/CS2/c2-1-3
InChIKey
QGJOPFRUJISHPQ-UHFFFAOYSA-N
Compound name
methanedithione
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

2356
References

118235
Patents

75.944145 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 76.951421 105.2
[M+Na]+ 98.933363 115.1
[M-H]- 74.936869 106.5
[M+NH4]+ 93.977968 130.0
[M+K]+ 114.90730 112.5
[M+H-H2O]+ 58.941405 101.4
[M+HCOO]- 120.94235 119.3
[M+CH3COO]- 134.95800 159.7
[M+Na-2H]- 96.918811 108.2
[M]+ 75.943596 105.9
[M]- 75.944694 105.9
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.