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

56
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 139.6
[M+Na]+ 233.98888 152.5
[M-H]- 209.99238 145.9
[M+NH4]+ 229.03348 164.0
[M+K]+ 249.96282 141.7
[M+H-H2O]+ 193.99692 140.2
[M+HCOO]- 255.99786 159.9
[M+CH3COO]- 270.01351 155.4
[M+Na-2H]- 231.97433 146.8
[M]+ 210.99911 157.6
[M]- 211.00021 157.6
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