CID 165745371

2751615-75-3

Structural Information

Molecular Formula
C9H9BrN2O3
SMILES
C1COC2=C(CN1)C=C(C=C2[N+](=O)[O-])Br
InChI
InChI=1S/C9H9BrN2O3/c10-7-3-6-5-11-1-2-15-9(6)8(4-7)12(13)14/h3-4,11H,1-2,5H2
InChIKey
XHWMJWZVSSOKBX-UHFFFAOYSA-N
Compound name
7-bromo-9-nitro-2,3,4,5-tetrahydro-1,4-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.97964 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.98692 149.0
[M+Na]+ 294.96886 157.0
[M-H]- 270.97236 155.0
[M+NH4]+ 290.01346 164.9
[M+K]+ 310.94280 148.0
[M+H-H2O]+ 254.97690 152.4
[M+HCOO]- 316.97784 165.4
[M+CH3COO]- 330.99349 187.2
[M+Na-2H]- 292.95431 158.4
[M]+ 271.97909 160.9
[M]- 271.98019 160.9
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.