CID 22557234

1373223-73-4

Structural Information

Molecular Formula
C8H7BrClNO
SMILES
C1COC2=C(N1)C=C(C=C2Br)Cl
InChI
InChI=1S/C8H7BrClNO/c9-6-3-5(10)4-7-8(6)12-2-1-11-7/h3-4,11H,1-2H2
InChIKey
KCFYTVGLBXSANX-UHFFFAOYSA-N
Compound name
8-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

246.93996 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.94724 141.7
[M+Na]+ 269.92918 154.3
[M-H]- 245.93268 146.7
[M+NH4]+ 264.97378 161.7
[M+K]+ 285.90312 142.4
[M+H-H2O]+ 229.93722 142.7
[M+HCOO]- 291.93816 153.5
[M+CH3COO]- 305.95381 156.2
[M+Na-2H]- 267.91463 150.9
[M]+ 246.93941 159.4
[M]- 246.94051 159.4
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

patents stripe