CID 16227188

2-chloro-n-(8-chloro-3,4-dihydro-2h-1,5-benzodioxepin-7-yl)acetamide

Structural Information

Molecular Formula
C11H11Cl2NO3
SMILES
C1COC2=C(C=C(C(=C2)NC(=O)CCl)Cl)OC1
InChI
InChI=1S/C11H11Cl2NO3/c12-6-11(15)14-8-5-10-9(4-7(8)13)16-2-1-3-17-10/h4-5H,1-3,6H2,(H,14,15)
InChIKey
JGDWWKNQQXJVIA-UHFFFAOYSA-N
Compound name
2-chloro-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0116 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.01888 153.8
[M+Na]+ 298.00082 161.7
[M-H]- 274.00432 159.5
[M+NH4]+ 293.04542 168.9
[M+K]+ 313.97476 163.9
[M+H-H2O]+ 258.00886 148.9
[M+HCOO]- 320.00980 164.3
[M+CH3COO]- 334.02545 197.6
[M+Na-2H]- 295.98627 160.1
[M]+ 275.01105 154.5
[M]- 275.01215 154.5
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.