CID 84688984

6-bromo-2,3-dimethyl-1h-indole

Structural Information

Molecular Formula
C10H10BrN
SMILES
CC1=C(NC2=C1C=CC(=C2)Br)C
InChI
InChI=1S/C10H10BrN/c1-6-7(2)12-10-5-8(11)3-4-9(6)10/h3-5,12H,1-2H3
InChIKey
ZVJGUODGBLAUOU-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dimethyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

222.99966 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00694 142.6
[M+Na]+ 245.98888 147.7
[M+NH4]+ 241.03348 148.5
[M+K]+ 261.96282 147.8
[M-H]- 221.99238 143.5
[M+Na-2H]- 243.97433 146.1
[M]+ 222.99911 142.5
[M]- 223.00021 142.5
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