CID 12452818

5-bromo-1h-indol-3-amine hydrochloride

Structural Information

Molecular Formula
C8H7BrN2
SMILES
C1=CC2=C(C=C1Br)C(=CN2)N
InChI
InChI=1S/C8H7BrN2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H,10H2
InChIKey
SONHFBNXEWKXMN-UHFFFAOYSA-N
Compound name
5-bromo-1H-indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

209.97926 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 136.0
[M+Na]+ 232.96848 149.8
[M-H]- 208.97198 141.2
[M+NH4]+ 228.01308 159.2
[M+K]+ 248.94242 137.2
[M+H-H2O]+ 192.97652 136.2
[M+HCOO]- 254.97746 158.2
[M+CH3COO]- 268.99311 151.8
[M+Na-2H]- 230.95393 144.6
[M]+ 209.97871 153.0
[M]- 209.97981 153.0
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