CID 13098388

86626-40-6

Structural Information

Molecular Formula
C9H10BrN
SMILES
CN1CCC2=C1C=CC=C2Br
InChI
InChI=1S/C9H10BrN/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-4H,5-6H2,1H3
InChIKey
VGVPPNCJTNJKAS-UHFFFAOYSA-N
Compound name
4-bromo-1-methyl-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
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

No literature data available for this compound.

Patent stripe

patents stripe