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]+ 239.97670 139.3
[M+Na]+ 261.95864 152.9
[M-H]- 237.96214 145.1
[M+NH4]+ 257.00324 161.2
[M+K]+ 277.93258 140.3
[M+H-H2O]+ 221.96668 138.5
[M+HCOO]- 283.96762 163.2
[M+CH3COO]- 297.98327 190.0
[M+Na-2H]- 259.94409 148.7
[M]+ 238.96887 157.4
[M]- 238.96997 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