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]+ 214.026546 139.9
[M+Na]+ 236.008488 151.0
[M-H]- 212.011994 143.0
[M+NH4]+ 231.053093 157.9
[M+K]+ 251.982428 148.0
[M+H-H2O]+ 196.016530 134.7
[M+HCOO]- 258.017471 153.9
[M+CH3COO]- 272.033121 183.4
[M+Na-2H]- 233.993936 146.5
[M]+ 213.01872142 142.2
[M]- 213.01981858 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.