CID 17244577

2-chloro-n-(6-chloro-4-fluoro-1,3-benzothiazol-2-yl)acetamide

Structural Information

Molecular Formula
C9H5Cl2FN2OS
SMILES
C1=C(C=C2C(=C1F)N=C(S2)NC(=O)CCl)Cl
InChI
InChI=1S/C9H5Cl2FN2OS/c10-3-7(15)13-9-14-8-5(12)1-4(11)2-6(8)16-9/h1-2H,3H2,(H,13,14,15)
InChIKey
ONDDNQUUOVDTKS-UHFFFAOYSA-N
Compound name
2-chloro-N-(6-chloro-4-fluoro-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.94836 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.95564 151.2
[M+Na]+ 300.93758 164.1
[M-H]- 276.94108 154.0
[M+NH4]+ 295.98218 171.1
[M+K]+ 316.91152 157.6
[M+H-H2O]+ 260.94562 146.2
[M+HCOO]- 322.94656 161.0
[M+CH3COO]- 336.96221 164.2
[M+Na-2H]- 298.92303 153.5
[M]+ 277.94781 157.4
[M]- 277.94891 157.4
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.