CID 13911

1016-75-7

Structural Information

Molecular Formula
C10H9Cl2NO2
SMILES
C1=CC2=C(C=C1Cl)C(=O)NC(O2)CCCl
InChI
InChI=1S/C10H9Cl2NO2/c11-4-3-9-13-10(14)7-5-6(12)1-2-8(7)15-9/h1-2,5,9H,3-4H2,(H,13,14)
InChIKey
UJNNEFOHOMFYDU-UHFFFAOYSA-N
Compound name
6-chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.00104 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.00832 147.7
[M+Na]+ 267.99026 157.7
[M-H]- 243.99376 149.4
[M+NH4]+ 263.03486 164.5
[M+K]+ 283.96420 152.7
[M+H-H2O]+ 227.99830 142.7
[M+HCOO]- 289.99924 156.0
[M+CH3COO]- 304.01489 187.7
[M+Na-2H]- 265.97571 153.5
[M]+ 245.00049 149.5
[M]- 245.00159 149.5
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.