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

19
Patents

212.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 139.5
[M+Na]+ 235.96815 151.5
[M-H]- 211.97165 144.2
[M+NH4]+ 231.01275 162.8
[M+K]+ 251.94209 140.0
[M+H-H2O]+ 195.97619 140.2
[M+HCOO]- 257.97713 157.5
[M+CH3COO]- 271.99278 180.5
[M+Na-2H]- 233.95360 145.8
[M]+ 212.97838 154.7
[M]- 212.97948 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