CID 336229

2-((2-chloroethyl)amino)-4h-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
C1=CC=C2C(=C1)C(=O)OC(=N2)NCCCl
InChI
InChI=1S/C10H9ClN2O2/c11-5-6-12-10-13-8-4-2-1-3-7(8)9(14)15-10/h1-4H,5-6H2,(H,12,13)
InChIKey
KFSRFZLPZZONHH-UHFFFAOYSA-N
Compound name
2-(2-chloroethylamino)-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.03525 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 143.6
[M+Na]+ 247.02447 154.1
[M-H]- 223.02797 147.7
[M+NH4]+ 242.06907 161.1
[M+K]+ 262.99841 150.6
[M+H-H2O]+ 207.03251 137.1
[M+HCOO]- 269.03345 162.5
[M+CH3COO]- 283.04910 188.6
[M+Na-2H]- 245.00992 153.7
[M]+ 224.03470 148.0
[M]- 224.03580 148.0
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.