CID 58792277

27784-79-8

Structural Information

Molecular Formula
C8H8BrNO
SMILES
C1CC2=C(C=C(N2)Br)C(=O)C1
InChI
InChI=1S/C8H8BrNO/c9-8-4-5-6(10-8)2-1-3-7(5)11/h4,10H,1-3H2
InChIKey
TTYFVLXVNAATTA-UHFFFAOYSA-N
Compound name
2-bromo-1,5,6,7-tetrahydroindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

212.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 139.5
[M+Na]+ 235.968148 151.5
[M-H]- 211.971654 144.2
[M+NH4]+ 231.012753 162.8
[M+K]+ 251.942088 140.0
[M+H-H2O]+ 195.976190 140.2
[M+HCOO]- 257.977131 157.5
[M+CH3COO]- 271.992781 180.5
[M+Na-2H]- 233.953596 145.8
[M]+ 212.97838142 154.7
[M]- 212.97947858 154.7
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