CID 86085348

Benthiavalicarb metabolite m-8

Structural Information

Molecular Formula
C11H11FN2OS
SMILES
CC(C1=NC2=C(S1)C=C(C=C2)F)NC(=O)C
InChI
InChI=1S/C11H11FN2OS/c1-6(13-7(2)15)11-14-9-4-3-8(12)5-10(9)16-11/h3-6H,1-2H3,(H,13,15)
InChIKey
CLBBOKYRCBGANT-UHFFFAOYSA-N
Compound name
N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

238.05762 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06490 148.7
[M+Na]+ 261.04684 158.7
[M-H]- 237.05034 151.7
[M+NH4]+ 256.09144 168.7
[M+K]+ 277.02078 155.1
[M+H-H2O]+ 221.05488 141.7
[M+HCOO]- 283.05582 166.5
[M+CH3COO]- 297.07147 192.8
[M+Na-2H]- 259.03229 150.7
[M]+ 238.05707 151.8
[M]- 238.05817 151.8
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

No patent data available for this compound.