CID 332496

Nsc329351

Structural Information

Molecular Formula
C8H6ClNO3
SMILES
C1=CC2=C(C=C1Cl)C(NC(=O)O2)O
InChI
InChI=1S/C8H6ClNO3/c9-4-1-2-6-5(3-4)7(11)10-8(12)13-6/h1-3,7,11H,(H,10,12)
InChIKey
PDDBVEXXMAYESJ-UHFFFAOYSA-N
Compound name
6-chloro-4-hydroxy-3,4-dihydro-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.00362 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01090 135.7
[M+Na]+ 221.99284 145.9
[M-H]- 197.99634 137.3
[M+NH4]+ 217.03744 153.3
[M+K]+ 237.96678 142.2
[M+H-H2O]+ 182.00088 130.8
[M+HCOO]- 244.00182 148.6
[M+CH3COO]- 258.01747 176.7
[M+Na-2H]- 219.97829 143.1
[M]+ 199.00307 135.5
[M]- 199.00417 135.5
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.