CID 66648512

6-bromo-7-methyl-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C9H10BrNO
SMILES
CC1=CC2=C(C=C1Br)NCCO2
InChI
InChI=1S/C9H10BrNO/c1-6-4-9-8(5-7(6)10)11-2-3-12-9/h4-5,11H,2-3H2,1H3
InChIKey
UGOYGTQAWHVGKH-UHFFFAOYSA-N
Compound name
6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

226.99458 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 141.5
[M+Na]+ 249.98380 152.7
[M-H]- 225.98730 146.6
[M+NH4]+ 245.02840 161.4
[M+K]+ 265.95774 142.4
[M+H-H2O]+ 209.99184 141.6
[M+HCOO]- 271.99278 157.4
[M+CH3COO]- 286.00843 155.8
[M+Na-2H]- 247.96925 150.5
[M]+ 226.99403 157.6
[M]- 226.99513 157.6
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

patents stripe