CID 325703

63482-65-5

Structural Information

Molecular Formula
C10H8BrNO3
SMILES
C1CON2C1OC3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C10H8BrNO3/c11-6-1-2-8-7(5-6)10(13)12-9(15-8)3-4-14-12/h1-2,5,9H,3-4H2
InChIKey
NZKMZUUYZLZZBW-UHFFFAOYSA-N
Compound name
7-bromo-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.96875 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.97603 150.8
[M+Na]+ 291.95797 163.3
[M-H]- 267.96147 158.8
[M+NH4]+ 287.00257 171.0
[M+K]+ 307.93191 155.1
[M+H-H2O]+ 251.96601 151.4
[M+HCOO]- 313.96695 166.6
[M+CH3COO]- 327.98260 165.7
[M+Na-2H]- 289.94342 158.7
[M]+ 268.96820 170.1
[M]- 268.96930 170.1
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.