CID 96776280

2416262-96-7

Structural Information

Molecular Formula
C8H7BrN2
SMILES
C1=CC2=C(C(=C1)Br)NC(=C2)N
InChI
InChI=1S/C8H7BrN2/c9-6-3-1-2-5-4-7(10)11-8(5)6/h1-4,11H,10H2
InChIKey
JRRWRCCFMXGVDT-UHFFFAOYSA-N
Compound name
7-bromo-1H-indol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.97926 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.986536 136.0
[M+Na]+ 232.968478 149.8
[M-H]- 208.971984 141.2
[M+NH4]+ 228.013083 159.2
[M+K]+ 248.942418 137.2
[M+H-H2O]+ 192.976520 136.2
[M+HCOO]- 254.977461 158.2
[M+CH3COO]- 268.993111 151.8
[M+Na-2H]- 230.953926 144.6
[M]+ 209.97871142 153.0
[M]- 209.97980858 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

No literature data available for this compound.

Patent stripe

patents stripe