CID 11084502

3-chloro-2h-1,4-benzoxazin-2-one

Structural Information

Molecular Formula
C8H4ClNO2
SMILES
C1=CC=C2C(=C1)N=C(C(=O)O2)Cl
InChI
InChI=1S/C8H4ClNO2/c9-7-8(11)12-6-4-2-1-3-5(6)10-7/h1-4H
InChIKey
FLFBJLVWUWOFTE-UHFFFAOYSA-N
Compound name
3-chloro-1,4-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.99306 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.00034 128.9
[M+Na]+ 203.98228 141.3
[M-H]- 179.98578 133.6
[M+NH4]+ 199.02688 148.7
[M+K]+ 219.95622 138.4
[M+H-H2O]+ 163.99032 123.3
[M+HCOO]- 225.99126 147.5
[M+CH3COO]- 240.00691 144.1
[M+Na-2H]- 201.96773 140.0
[M]+ 180.99251 133.4
[M]- 180.99361 133.4
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

patents stripe