CID 125448979

5-bromo-6-chloro-1,2-dihydrospiro[indole-3,4'-oxane]

Structural Information

Molecular Formula
C12H13BrClNO
SMILES
C1COCCC12CNC3=CC(=C(C=C23)Br)Cl
InChI
InChI=1S/C12H13BrClNO/c13-9-5-8-11(6-10(9)14)15-7-12(8)1-3-16-4-2-12/h5-6,15H,1-4,7H2
InChIKey
DRAFASIQPWYXPB-UHFFFAOYSA-N
Compound name
5-bromo-6-chlorospiro[1,2-dihydroindole-3,4'-oxane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.9869 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.99418 161.4
[M+Na]+ 323.97612 173.3
[M-H]- 299.97962 168.2
[M+NH4]+ 319.02072 183.0
[M+K]+ 339.95006 160.8
[M+H-H2O]+ 283.98416 162.4
[M+HCOO]- 345.98510 171.4
[M+CH3COO]- 360.00075 174.7
[M+Na-2H]- 321.96157 167.3
[M]+ 300.98635 177.2
[M]- 300.98745 177.2
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.