CID 66953489

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

Structural Information

Molecular Formula
C12H12BrNO2
SMILES
C1COCCC12C3=C(C=C(C=C3)Br)NC2=O
InChI
InChI=1S/C12H12BrNO2/c13-8-1-2-9-10(7-8)14-11(15)12(9)3-5-16-6-4-12/h1-2,7H,3-6H2,(H,14,15)
InChIKey
WGDOZEMHDIATQE-UHFFFAOYSA-N
Compound name
6-bromospiro[1H-indole-3,4'-oxane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

281.00513 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01241 157.0
[M+Na]+ 303.99435 168.0
[M-H]- 279.99785 164.0
[M+NH4]+ 299.03895 178.3
[M+K]+ 319.96829 157.3
[M+H-H2O]+ 264.00239 157.5
[M+HCOO]- 326.00333 171.7
[M+CH3COO]- 340.01898 170.6
[M+Na-2H]- 301.97980 163.5
[M]+ 281.00458 171.6
[M]- 281.00568 171.6
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