CID 137033

Carbonothioic chloride fluoride

Structural Information

Molecular Formula
CClFS
SMILES
C(=S)(F)Cl
InChI
InChI=1S/CClFS/c2-1(3)4
InChIKey
FBFTTXYJHNXDDZ-UHFFFAOYSA-N
Compound name
chloromethanethioyl fluoride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

18
Patents

97.93932 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.946596 107.0
[M+Na]+ 120.92854 117.0
[M-H]- 96.932044 107.1
[M+NH4]+ 115.97314 131.7
[M+K]+ 136.90248 114.7
[M+H-H2O]+ 80.936580 103.7
[M+HCOO]- 142.93752 120.5
[M+CH3COO]- 156.95317 162.8
[M+Na-2H]- 118.91399 111.0
[M]+ 97.938771 107.6
[M]- 97.939869 107.6
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.