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]+ 213.042526 142.4
[M+Na]+ 235.024468 151.2
[M-H]- 211.027974 145.7
[M+NH4]+ 230.069073 160.0
[M+K]+ 250.998408 148.4
[M+H-H2O]+ 195.032510 136.5
[M+HCOO]- 257.033451 157.2
[M+CH3COO]- 271.049101 185.9
[M+Na-2H]- 233.009916 148.9
[M]+ 212.03470142 142.0
[M]- 212.03579858 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.