CID 2404974

2-chloro-n-[4-(cyanosulfanyl)-2-fluorophenyl]acetamide

Structural Information

Molecular Formula
C9H6ClFN2OS
SMILES
C1=CC(=C(C=C1SC#N)F)NC(=O)CCl
InChI
InChI=1S/C9H6ClFN2OS/c10-4-9(14)13-8-2-1-6(15-5-12)3-7(8)11/h1-3H,4H2,(H,13,14)
InChIKey
KCXMHBXYHRPGNL-UHFFFAOYSA-N
Compound name
[4-[(2-chloroacetyl)amino]-3-fluorophenyl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.98734 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.994616 150.7
[M+Na]+ 266.976558 161.9
[M-H]- 242.980064 153.7
[M+NH4]+ 262.021163 167.8
[M+K]+ 282.950498 156.9
[M+H-H2O]+ 226.984600 138.7
[M+HCOO]- 288.985541 161.9
[M+CH3COO]- 303.001191 202.4
[M+Na-2H]- 264.962006 152.4
[M]+ 243.98679142 148.3
[M]- 243.98788858 148.3
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.