CID 60727860

2-(2-chloro-6-fluorophenyl)ethanethioamide

Structural Information

Molecular Formula
C8H7ClFNS
SMILES
C1=CC(=C(C(=C1)Cl)CC(=S)N)F
InChI
InChI=1S/C8H7ClFNS/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKey
MQGQGNYWIVIDEP-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.99718 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.00446 136.2
[M+Na]+ 225.98640 145.9
[M-H]- 201.98990 138.7
[M+NH4]+ 221.03100 156.6
[M+K]+ 241.96034 140.3
[M+H-H2O]+ 185.99444 131.0
[M+HCOO]- 247.99538 149.6
[M+CH3COO]- 262.01103 185.0
[M+Na-2H]- 223.97185 137.4
[M]+ 202.99663 136.4
[M]- 202.99773 136.4
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.