CID 66545111

8-bromo-6-methoxy-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C9H10BrNO2
SMILES
COC1=CC2=C(C(=C1)Br)OCCN2
InChI
InChI=1S/C9H10BrNO2/c1-12-6-4-7(10)9-8(5-6)11-2-3-13-9/h4-5,11H,2-3H2,1H3
InChIKey
VZZDNGDAYDBDAE-UHFFFAOYSA-N
Compound name
8-bromo-6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98949 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99677 144.1
[M+Na]+ 265.97871 155.1
[M-H]- 241.98221 149.1
[M+NH4]+ 261.02331 163.2
[M+K]+ 281.95265 145.3
[M+H-H2O]+ 225.98675 144.0
[M+HCOO]- 287.98769 160.2
[M+CH3COO]- 302.00334 186.1
[M+Na-2H]- 263.96416 153.1
[M]+ 242.98894 161.6
[M]- 242.99004 161.6
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.