CID 30881

21977-20-8

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
CCC(=O)N1CC2=C(CO1)C=C(C=C2)Cl
InChI
InChI=1S/C11H12ClNO2/c1-2-11(14)13-6-8-3-4-10(12)5-9(8)7-15-13/h3-5H,2,6-7H2,1H3
InChIKey
AVFGEQIITULSTD-UHFFFAOYSA-N
Compound name
1-(7-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 146.3
[M+Na]+ 248.04487 155.0
[M-H]- 224.04837 149.8
[M+NH4]+ 243.08947 164.0
[M+K]+ 264.01881 152.2
[M+H-H2O]+ 208.05291 140.2
[M+HCOO]- 270.05385 160.0
[M+CH3COO]- 284.06950 187.6
[M+Na-2H]- 246.03032 152.4
[M]+ 225.05510 148.2
[M]- 225.05620 148.2
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.