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

0
Patents

209.97926 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe