CID 43554778

2-(3,4-difluorophenoxy)ethanethioamide

Structural Information

Molecular Formula
C8H7F2NOS
SMILES
C1=CC(=C(C=C1OCC(=S)N)F)F
InChI
InChI=1S/C8H7F2NOS/c9-6-2-1-5(3-7(6)10)12-4-8(11)13/h1-3H,4H2,(H2,11,13)
InChIKey
QSVFJMGUDUBLDG-UHFFFAOYSA-N
Compound name
2-(3,4-difluorophenoxy)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.02164 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02892 136.5
[M+Na]+ 226.01086 145.3
[M-H]- 202.01436 137.5
[M+NH4]+ 221.05546 155.7
[M+K]+ 241.98480 141.6
[M+H-H2O]+ 186.01890 128.9
[M+HCOO]- 248.01984 153.5
[M+CH3COO]- 262.03549 186.0
[M+Na-2H]- 223.99631 137.5
[M]+ 203.02109 135.0
[M]- 203.02219 135.0
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.