CID 163198788

Qnwcdokeoscyja-nscuhmnnsa-n

Structural Information

Molecular Formula
C3H4F2O2S
SMILES
C(O)S/C(=C(/O)\F)/F
InChI
InChI=1S/C3H4F2O2S/c4-2(7)3(5)8-1-6/h6-7H,1H2/b3-2+
InChIKey
QNWCDOKEOSCYJA-NSCUHMNNSA-N
Compound name
(Z)-1,2-difluoro-2-(hydroxymethylsulfanyl)ethenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

141.99 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.997276 122.0
[M+Na]+ 164.979218 129.3
[M-H]- 140.982724 117.3
[M+NH4]+ 160.023823 142.4
[M+K]+ 180.953158 127.2
[M+H-H2O]+ 124.987260 116.2
[M+HCOO]- 186.988201 134.7
[M+CH3COO]- 201.003851 166.2
[M+Na-2H]- 162.964666 122.6
[M]+ 141.98945142 118.9
[M]- 141.99054858 118.9
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

No patent data available for this compound.