CID 721847

1-(5-bromo-2,3-dihydro-1h-indol-1-yl)ethan-1-one

Structural Information

Molecular Formula
C10H10BrNO
SMILES
CC(=O)N1CCC2=C1C=CC(=C2)Br
InChI
InChI=1S/C10H10BrNO/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5H2,1H3
InChIKey
WQKQAIXOTCPWFE-UHFFFAOYSA-N
Compound name
1-(5-bromo-2,3-dihydroindol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

238.99458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.001856 146.5
[M+Na]+ 261.983798 158.9
[M-H]- 237.987304 152.7
[M+NH4]+ 257.028403 169.6
[M+K]+ 277.957738 148.2
[M+H-H2O]+ 221.991840 146.9
[M+HCOO]- 283.992781 165.8
[M+CH3COO]- 298.008431 188.4
[M+Na-2H]- 259.969246 152.1
[M]+ 238.99403142 164.8
[M]- 238.99512858 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe