CID 10039

Carbonyl sulfide

Structural Information

Molecular Formula
COS
SMILES
C(=O)=S
InChI
InChI=1S/COS/c2-1-3
InChIKey
JJWKPURADFRFRB-UHFFFAOYSA-N
Compound name
sulfanylidenemethanone
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

257
References

67769
Patents

59.966988 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 60.974264 102.5
[M+Na]+ 82.956206 112.4
[M-H]- 58.959712 104.0
[M+NH4]+ 78.000811 127.9
[M+K]+ 98.930146 111.9
[M+H-H2O]+ 42.964248 99.0
[M+HCOO]- 104.96519 123.0
[M+CH3COO]- 118.98084 156.2
[M+Na-2H]- 80.941654 108.5
[M]+ 59.966439 104.0
[M]- 59.967537 104.0
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