CID 5325501

Chloro[(chlorocarbonyl)disulfanyl]methanone

Structural Information

Molecular Formula
C2Cl2O2S2
SMILES
C(=O)(SSC(=O)Cl)Cl
InChI
InChI=1S/C2Cl2O2S2/c3-1(5)7-8-2(4)6
InChIKey
FIPMEXDXARPDRK-UHFFFAOYSA-N
Compound name
S-carbonochloridoylsulfanyl chloromethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

189.87167 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.87895 126.4
[M+Na]+ 212.86089 135.5
[M-H]- 188.86439 127.5
[M+NH4]+ 207.90549 147.7
[M+K]+ 228.83483 131.3
[M+H-H2O]+ 172.86893 124.7
[M+HCOO]- 234.86987 129.6
[M+CH3COO]- 248.88552 174.8
[M+Na-2H]- 210.84634 126.6
[M]+ 189.87112 131.0
[M]- 189.87222 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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