CID 3860326

7-bromo-5-nitro-1h-indole

Structural Information

Molecular Formula
C8H5BrN2O2
SMILES
C1=CNC2=C(C=C(C=C21)[N+](=O)[O-])Br
InChI
InChI=1S/C8H5BrN2O2/c9-7-4-6(11(12)13)3-5-1-2-10-8(5)7/h1-4,10H
InChIKey
XXJOZTUJVYCOMP-UHFFFAOYSA-N
Compound name
7-bromo-5-nitro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

239.95345 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.960726 142.6
[M+Na]+ 262.942668 155.5
[M-H]- 238.946174 148.2
[M+NH4]+ 257.987273 164.1
[M+K]+ 278.916608 140.1
[M+H-H2O]+ 222.950710 146.8
[M+HCOO]- 284.951651 165.3
[M+CH3COO]- 298.967301 179.7
[M+Na-2H]- 260.928116 152.8
[M]+ 239.95290142 160.6
[M]- 239.95399858 160.6
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