CID 919029

3427-30-3

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCl
InChI
InChI=1S/C10H9ClN2O2S/c1-15-6-2-3-7-8(4-6)16-10(12-7)13-9(14)5-11/h2-4H,5H2,1H3,(H,12,13,14)
InChIKey
OYGSDMFSKFBVOM-UHFFFAOYSA-N
Compound name
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

256.00732 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01460 151.3
[M+Na]+ 278.99654 162.6
[M-H]- 255.00004 155.8
[M+NH4]+ 274.04114 171.6
[M+K]+ 294.97048 158.0
[M+H-H2O]+ 239.00458 146.1
[M+HCOO]- 301.00552 167.3
[M+CH3COO]- 315.02117 192.1
[M+Na-2H]- 276.98199 155.2
[M]+ 256.00677 159.0
[M]- 256.00787 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe