CID 245176

7331-78-4

Structural Information

Molecular Formula
C9H10BrNO
SMILES
CN1CC2=C(C=CC(=C2)Br)OC1
InChI
InChI=1S/C9H10BrNO/c1-11-5-7-4-8(10)2-3-9(7)12-6-11/h2-4H,5-6H2,1H3
InChIKey
WZRWMKXMXFEVKZ-UHFFFAOYSA-N
Compound name
6-bromo-3-methyl-2,4-dihydro-1,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.99458 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 140.5
[M+Na]+ 249.98380 152.2
[M-H]- 225.98730 146.9
[M+NH4]+ 245.02840 161.1
[M+K]+ 265.95774 142.8
[M+H-H2O]+ 209.99184 140.5
[M+HCOO]- 271.99278 157.9
[M+CH3COO]- 286.00843 155.6
[M+Na-2H]- 247.96925 150.1
[M]+ 226.99403 158.4
[M]- 226.99513 158.4
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

No patent data available for this compound.