CID 135463734

67259-61-4

Structural Information

Molecular Formula
C9H7FOS2
SMILES
C1=CC(=CC=C1/C(=C/C(=S)S)/O)F
InChI
InChI=1S/C9H7FOS2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-5,11H,(H,12,13)/b8-5-
InChIKey
OFYAMVIQYBHDBO-YVMONPNESA-N
Compound name
(Z)-3-(4-fluorophenyl)-3-hydroxyprop-2-enedithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

213.99223 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.99951 142.6
[M+Na]+ 236.98145 152.7
[M+NH4]+ 232.02605 150.7
[M+K]+ 252.95539 143.6
[M-H]- 212.98495 142.9
[M+Na-2H]- 234.96690 146.5
[M]+ 213.99168 144.9
[M]- 213.99278 144.9
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

patents stripe