CID 19361435

5-bromo-1-methylindoline

Structural Information

Molecular Formula
C9H10BrN
SMILES
CN1CCC2=C1C=CC(=C2)Br
InChI
InChI=1S/C9H10BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5H2,1H3
InChIKey
YIRSVRZXIXHOSN-UHFFFAOYSA-N
Compound name
5-bromo-1-methyl-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

210.99966 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00694 140.7
[M+Na]+ 233.98888 144.5
[M+NH4]+ 229.03348 146.9
[M+K]+ 249.96282 144.8
[M-H]- 209.99238 141.7
[M+Na-2H]- 231.97433 143.6
[M]+ 210.99911 140.4
[M]- 211.00021 140.4
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