CID 203487

14556-83-3

Structural Information

Molecular Formula
C9H5Cl2FN2OS
SMILES
C1=C(C(=CC(=C1Cl)SC#N)Cl)NC(=O)CF
InChI
InChI=1S/C9H5Cl2FN2OS/c10-5-2-8(16-4-13)6(11)1-7(5)14-9(15)3-12/h1-2H,3H2,(H,14,15)
InChIKey
KLATZYDCMKUTCU-UHFFFAOYSA-N
Compound name
[2,5-dichloro-4-[(2-fluoroacetyl)amino]phenyl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.94836 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.95564 155.3
[M+Na]+ 300.93758 167.5
[M-H]- 276.94108 158.2
[M+NH4]+ 295.98218 171.8
[M+K]+ 316.91152 161.4
[M+H-H2O]+ 260.94562 144.7
[M+HCOO]- 322.94656 162.1
[M+CH3COO]- 336.96221 207.4
[M+Na-2H]- 298.92303 155.8
[M]+ 277.94781 154.3
[M]- 277.94891 154.3
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.