CID 332498

Nsc329353

Structural Information

Molecular Formula
C8H5Cl2NO3
SMILES
C1=C(C=C(C2=C1C(NC(=O)O2)O)Cl)Cl
InChI
InChI=1S/C8H5Cl2NO3/c9-3-1-4-6(5(10)2-3)14-8(13)11-7(4)12/h1-2,7,12H,(H,11,13)
InChIKey
APDPAIFRIUBNQF-UHFFFAOYSA-N
Compound name
6,8-dichloro-4-hydroxy-3,4-dihydro-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.96465 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.97193 141.0
[M+Na]+ 255.95387 152.3
[M-H]- 231.95737 142.2
[M+NH4]+ 250.99847 157.9
[M+K]+ 271.92781 147.6
[M+H-H2O]+ 215.96191 137.1
[M+HCOO]- 277.96285 148.9
[M+CH3COO]- 291.97850 182.8
[M+Na-2H]- 253.93932 147.0
[M]+ 232.96410 142.3
[M]- 232.96520 142.3
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.