CID 3008086

8-chloro-4-hydroxy-2-methyl-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C9H8ClNO3
SMILES
CC1C(=O)N(C2=C(O1)C(=CC=C2)Cl)O
InChI
InChI=1S/C9H8ClNO3/c1-5-9(12)11(13)7-4-2-3-6(10)8(7)14-5/h2-5,13H,1H3
InChIKey
XJNAMXJJFMHKNP-UHFFFAOYSA-N
Compound name
8-chloro-4-hydroxy-2-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

213.01927 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02655 139.9
[M+Na]+ 236.00849 151.0
[M-H]- 212.01199 143.0
[M+NH4]+ 231.05309 157.9
[M+K]+ 251.98243 148.0
[M+H-H2O]+ 196.01653 134.7
[M+HCOO]- 258.01747 153.9
[M+CH3COO]- 272.03312 183.4
[M+Na-2H]- 233.99394 146.5
[M]+ 213.01872 142.2
[M]- 213.01982 142.2
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.