CID 11471496

5'-bromo-1',2'-dihydrospiro[cyclohexane-1,3'-indole]-2'-one

Structural Information

Molecular Formula
C13H14BrNO
SMILES
C1CCC2(CC1)C3=C(C=CC(=C3)Br)NC2=O
InChI
InChI=1S/C13H14BrNO/c14-9-4-5-11-10(8-9)13(12(16)15-11)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKey
MOCOBMQLHAVEMT-UHFFFAOYSA-N
Compound name
5-bromospiro[1H-indole-3,1'-cyclohexane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

279.02588 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.03316 159.2
[M+Na]+ 302.01510 169.9
[M-H]- 278.01860 165.5
[M+NH4]+ 297.05970 181.9
[M+K]+ 317.98904 157.4
[M+H-H2O]+ 262.02314 159.5
[M+HCOO]- 324.02408 174.3
[M+CH3COO]- 338.03973 172.4
[M+Na-2H]- 300.00055 164.4
[M]+ 279.02533 172.2
[M]- 279.02643 172.2
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

patents stripe