CID 209783

20380-98-7

Structural Information

Molecular Formula
C13H13Cl2NO2
SMILES
C1CN2C(=O)CCC2(OC1)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C13H13Cl2NO2/c14-10-3-2-9(8-11(10)15)13-5-4-12(17)16(13)6-1-7-18-13/h2-3,8H,1,4-7H2
InChIKey
INFGAGMZYGLIEA-UHFFFAOYSA-N
Compound name
8a-(3,4-dichlorophenyl)-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.03235 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.03963 161.4
[M+Na]+ 308.02157 170.8
[M-H]- 284.02507 167.1
[M+NH4]+ 303.06617 180.4
[M+K]+ 323.99551 165.8
[M+H-H2O]+ 268.02961 155.3
[M+HCOO]- 330.03055 169.4
[M+CH3COO]- 344.04620 173.0
[M+Na-2H]- 306.00702 164.3
[M]+ 285.03180 161.7
[M]- 285.03290 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.