CID 165362503

Dtxsid201348653

Structural Information

Molecular Formula
C4H3F5OS
SMILES
C(O/C(=C(/F)\S)/C(F)(F)F)F
InChI
InChI=1S/C4H3F5OS/c5-1-10-2(3(6)11)4(7,8)9/h11H,1H2/b3-2-
InChIKey
OKUWVAYPMFQVQA-IHWYPQMZSA-N
Compound name
(Z)-1,3,3,3-tetrafluoro-2-(fluoromethoxy)prop-1-ene-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.98248 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.98976 128.7
[M+Na]+ 216.97170 136.9
[M-H]- 192.97520 122.9
[M+NH4]+ 212.01630 148.3
[M+K]+ 232.94564 135.3
[M+H-H2O]+ 176.97974 120.0
[M+HCOO]- 238.98068 139.2
[M+CH3COO]- 252.99633 180.9
[M+Na-2H]- 214.95715 128.8
[M]+ 193.98193 123.9
[M]- 193.98303 123.9
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

No patent data available for this compound.