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]+ 142.99728 122.0
[M+Na]+ 164.97922 129.3
[M-H]- 140.98272 117.3
[M+NH4]+ 160.02382 142.4
[M+K]+ 180.95316 127.2
[M+H-H2O]+ 124.98726 116.2
[M+HCOO]- 186.98820 134.7
[M+CH3COO]- 201.00385 166.2
[M+Na-2H]- 162.96467 122.6
[M]+ 141.98945 118.9
[M]- 141.99055 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.