CID 17244616

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

Structural Information

Molecular Formula
C10H8ClFN2OS
SMILES
CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)F)Cl
InChI
InChI=1S/C10H8ClFN2OS/c1-5(11)9(15)14-10-13-7-3-2-6(12)4-8(7)16-10/h2-5H,1H3,(H,13,14,15)
InChIKey
IXLWCUSDEQDPRE-UHFFFAOYSA-N
Compound name
2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.003 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01028 150.0
[M+Na]+ 280.99222 161.2
[M-H]- 256.99572 153.1
[M+NH4]+ 276.03682 170.1
[M+K]+ 296.96616 156.0
[M+H-H2O]+ 241.00026 144.0
[M+HCOO]- 303.00120 163.6
[M+CH3COO]- 317.01685 193.6
[M+Na-2H]- 278.97767 152.2
[M]+ 258.00245 154.7
[M]- 258.00355 154.7
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.