CID 3162828

757220-20-5

Structural Information

Molecular Formula
C11H12ClNO3
SMILES
C1COC2=C(C=C(C=C2)NC(=O)CCl)OC1
InChI
InChI=1S/C11H12ClNO3/c12-7-11(14)13-8-2-3-9-10(6-8)16-5-1-4-15-9/h2-3,6H,1,4-5,7H2,(H,13,14)
InChIKey
GJQLWCAWMVXADU-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05057 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05785 147.1
[M+Na]+ 264.03979 153.2
[M-H]- 240.04329 153.3
[M+NH4]+ 259.08439 162.6
[M+K]+ 280.01373 156.4
[M+H-H2O]+ 224.04783 142.0
[M+HCOO]- 286.04877 162.3
[M+CH3COO]- 300.06442 192.2
[M+Na-2H]- 262.02524 154.8
[M]+ 241.05002 146.4
[M]- 241.05112 146.4
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

No patent data available for this compound.