CID 110149

2-naphthalenesulfonic acid, 1-amino-4-bromo-

Structural Information

Molecular Formula
C10H8BrNO3S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N)S(=O)(=O)O)Br
InChI
InChI=1S/C10H8BrNO3S/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8/h1-5H,12H2,(H,13,14,15)
InChIKey
ICJBHRVOMUBBCB-UHFFFAOYSA-N
Compound name
1-amino-4-bromonaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.94083 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.94811 146.8
[M+Na]+ 323.93005 159.9
[M-H]- 299.93355 152.9
[M+NH4]+ 318.97465 166.3
[M+K]+ 339.90399 146.9
[M+H-H2O]+ 283.93809 147.2
[M+HCOO]- 345.93903 161.7
[M+CH3COO]- 359.95468 195.5
[M+Na-2H]- 321.91550 154.3
[M]+ 300.94028 166.6
[M]- 300.94138 166.6
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