CID 19361435

99848-78-9

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

158
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

literature stripe

Patent stripe

patents stripe