CID 17105

2438-71-3

Structural Information

Molecular Formula
C8H6BrN3O
SMILES
C1=CC2=C(C=C1Br)C(=C(N2)O)N=N
InChI
InChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(12-10)8(13)11-6/h1-3,10-11,13H
InChIKey
WIQKEHOIDIEVPQ-UHFFFAOYSA-N
Compound name
5-bromo-3-diazenyl-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.96942 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.976696 139.3
[M+Na]+ 261.958638 152.9
[M-H]- 237.962144 145.1
[M+NH4]+ 257.003243 161.2
[M+K]+ 277.932578 140.3
[M+H-H2O]+ 221.966680 138.5
[M+HCOO]- 283.967621 163.2
[M+CH3COO]- 297.983271 190.0
[M+Na-2H]- 259.944086 148.7
[M]+ 238.96887142 157.4
[M]- 238.96996858 157.4
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