CID 2776405

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

Structural Information

Molecular Formula
C9H10BrNO
SMILES
CN1CCOC2=C1C=CC(=C2)Br
InChI
InChI=1S/C9H10BrNO/c1-11-4-5-12-9-6-7(10)2-3-8(9)11/h2-3,6H,4-5H2,1H3
InChIKey
MQMFOFZKZBLSAB-UHFFFAOYSA-N
Compound name
7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

226.99458 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 140.5
[M+Na]+ 249.983798 152.2
[M-H]- 225.987304 146.9
[M+NH4]+ 245.028403 161.1
[M+K]+ 265.957738 142.8
[M+H-H2O]+ 209.991840 140.5
[M+HCOO]- 271.992781 157.9
[M+CH3COO]- 286.008431 155.6
[M+Na-2H]- 247.969246 150.1
[M]+ 226.99403142 158.4
[M]- 226.99512858 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

patents stripe