CID 30456

21038-17-5

Structural Information

Molecular Formula
C9H9ClN2O2
SMILES
C1C2=C(CON1C(=O)N)C=C(C=C2)Cl
InChI
InChI=1S/C9H9ClN2O2/c10-8-2-1-6-4-12(9(11)13)14-5-7(6)3-8/h1-3H,4-5H2,(H2,11,13)
InChIKey
OXMIHLGHUYDMCT-UHFFFAOYSA-N
Compound name
7-chloro-1,4-dihydro-2,3-benzoxazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03525 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04253 142.4
[M+Na]+ 235.02447 151.2
[M-H]- 211.02797 145.7
[M+NH4]+ 230.06907 160.0
[M+K]+ 250.99841 148.4
[M+H-H2O]+ 195.03251 136.5
[M+HCOO]- 257.03345 157.2
[M+CH3COO]- 271.04910 185.9
[M+Na-2H]- 233.00992 148.9
[M]+ 212.03470 142.0
[M]- 212.03580 142.0
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.