CID 3007839

7-amino-3,8-dibromo-4-hydroxy-naphthalene-2-sulfonic acid

Structural Information

Molecular Formula
C10H7Br2NO4S
SMILES
C1=CC(=C(C2=CC(=C(C(=C21)O)Br)S(=O)(=O)O)Br)N
InChI
InChI=1S/C10H7Br2NO4S/c11-8-5-3-7(18(15,16)17)9(12)10(14)4(5)1-2-6(8)13/h1-3,14H,13H2,(H,15,16,17)
InChIKey
GPXZDBPLLUGJET-UHFFFAOYSA-N
Compound name
7-amino-3,8-dibromo-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.84625 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.85353 146.1
[M+Na]+ 417.83547 157.7
[M-H]- 393.83897 151.5
[M+NH4]+ 412.88007 162.0
[M+K]+ 433.80941 140.6
[M+H-H2O]+ 377.84351 153.5
[M+HCOO]- 439.84445 155.4
[M+CH3COO]- 453.86010 212.9
[M+Na-2H]- 415.82092 152.2
[M]+ 394.84570 180.7
[M]- 394.84680 180.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.