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

13
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

literature stripe

Patent stripe

patents stripe