CID 135612765

3281-96-7

Structural Information

Molecular Formula
C12H7Br2N3O3
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C(=C2)Br)O)Br)[N+](=O)[O-]
InChI
InChI=1S/C12H7Br2N3O3/c13-10-5-8(6-11(14)12(10)18)16-15-7-1-3-9(4-2-7)17(19)20/h1-6,18H
InChIKey
LGSLCBLDMDBWHB-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-[(4-nitrophenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

398.8854 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.89268 166.0
[M+Na]+ 421.87462 174.7
[M-H]- 397.87812 175.8
[M+NH4]+ 416.91922 180.7
[M+K]+ 437.84856 156.0
[M+H-H2O]+ 381.88266 173.4
[M+HCOO]- 443.88360 185.7
[M+CH3COO]- 457.89925 217.6
[M+Na-2H]- 419.86007 173.2
[M]+ 398.88485 200.1
[M]- 398.88595 200.1
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