CID 30888

21977-39-9

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
CCC(=O)N1CC2=C(CO1)C=CC(=C2)Cl
InChI
InChI=1S/C11H12ClNO2/c1-2-11(14)13-6-9-5-10(12)4-3-8(9)7-15-13/h3-5H,2,6-7H2,1H3
InChIKey
HXLCWJFBAHHGQB-UHFFFAOYSA-N
Compound name
1-(6-chloro-1,4-dihydro-2,3-benzoxazin-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.05565 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 145.9
[M+Na]+ 248.04487 160.2
[M+NH4]+ 243.08947 154.8
[M+K]+ 264.01881 153.3
[M-H]- 224.04837 149.2
[M+Na-2H]- 246.03032 151.3
[M]+ 225.05510 149.2
[M]- 225.05620 149.2
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.