CID 115097119

2247102-81-2

Structural Information

Molecular Formula
C10H10BrNO
SMILES
C1CC12CNC3=C(O2)C=C(C=C3)Br
InChI
InChI=1S/C10H10BrNO/c11-7-1-2-8-9(5-7)13-10(3-4-10)6-12-8/h1-2,5,12H,3-4,6H2
InChIKey
IJXYSJNLEFSFRD-UHFFFAOYSA-N
Compound name
7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.99458 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00186 138.4
[M+Na]+ 261.98380 144.4
[M+NH4]+ 257.02840 146.3
[M+K]+ 277.95774 143.6
[M-H]- 237.98730 147.2
[M+Na-2H]- 259.96925 145.6
[M]+ 238.99403 141.9
[M]- 238.99513 141.9
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.