CID 3007840

2-naphthalenesulfonic acid, 7-amino-3-bromo-4-hydroxy-

Structural Information

Molecular Formula
C10H8BrNO4S
SMILES
C1=CC2=C(C(=C(C=C2C=C1N)S(=O)(=O)O)Br)O
InChI
InChI=1S/C10H8BrNO4S/c11-9-8(17(14,15)16)4-5-3-6(12)1-2-7(5)10(9)13/h1-4,13H,12H2,(H,14,15,16)
InChIKey
ZZDURHWOKJUSPP-UHFFFAOYSA-N
Compound name
7-amino-3-bromo-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.93573 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.94301 149.6
[M+Na]+ 339.92495 162.6
[M-H]- 315.92845 154.5
[M+NH4]+ 334.96955 167.8
[M+K]+ 355.89889 149.4
[M+H-H2O]+ 299.93299 149.9
[M+HCOO]- 361.93393 163.1
[M+CH3COO]- 375.94958 196.7
[M+Na-2H]- 337.91040 156.2
[M]+ 316.93518 169.2
[M]- 316.93628 169.2
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.