CID 5084887

3-chloro-n-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Structural Information

Molecular Formula
C11H12ClNO3
SMILES
C1COC2=C(O1)C=CC(=C2)NC(=O)CCCl
InChI
InChI=1S/C11H12ClNO3/c12-4-3-11(14)13-8-1-2-9-10(7-8)16-6-5-15-9/h1-2,7H,3-6H2,(H,13,14)
InChIKey
YHRDEJFGHGFMHU-UHFFFAOYSA-N
Compound name
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05057 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05785 151.0
[M+Na]+ 264.03979 157.9
[M-H]- 240.04329 156.2
[M+NH4]+ 259.08439 167.3
[M+K]+ 280.01373 156.6
[M+H-H2O]+ 224.04783 145.2
[M+HCOO]- 286.04877 166.3
[M+CH3COO]- 300.06442 191.0
[M+Na-2H]- 262.02524 158.9
[M]+ 241.05002 153.5
[M]- 241.05112 153.5
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.