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
None
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

2356
References

102272
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

literature stripe

Patent stripe

patents stripe