CID 589428

303090-98-4

Structural Information

Molecular Formula
C14H10Cl2FNOS
SMILES
C1=CC(=CC=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)Cl
InChI
InChI=1S/C14H10Cl2FNOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-10-3-6-13(17)12(16)7-10/h1-7H,8H2,(H,18,19)
InChIKey
IVSONCCKUMTPBT-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.9844 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.99168 165.5
[M+Na]+ 351.97362 175.2
[M-H]- 327.97712 170.9
[M+NH4]+ 347.01822 181.5
[M+K]+ 367.94756 167.5
[M+H-H2O]+ 311.98166 159.4
[M+HCOO]- 373.98260 174.6
[M+CH3COO]- 387.99825 206.0
[M+Na-2H]- 349.95907 166.3
[M]+ 328.98385 169.8
[M]- 328.98495 169.8
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.