CID 5070563

N-(1,3-benzothiazol-2-yl)-2-iodoacetamide

Structural Information

Molecular Formula
C9H7IN2OS
SMILES
C1=CC=C2C(=C1)N=C(S2)NC(=O)CI
InChI
InChI=1S/C9H7IN2OS/c10-5-8(13)12-9-11-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12,13)
InChIKey
TZPWZPRCLDDGGP-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

317.93237 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.93965 149.5
[M+Na]+ 340.92159 152.5
[M-H]- 316.92509 146.6
[M+NH4]+ 335.96619 165.4
[M+K]+ 356.89553 154.8
[M+H-H2O]+ 300.92963 139.8
[M+HCOO]- 362.93057 165.0
[M+CH3COO]- 376.94622 193.2
[M+Na-2H]- 338.90704 142.7
[M]+ 317.93182 150.4
[M]- 317.93292 150.4
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

patents stripe