CID 6722

82-75-7

Structural Information

Molecular Formula
C10H9NO3S
SMILES
C1=CC2=C(C(=C1)N)C(=CC=C2)S(=O)(=O)O
InChI
InChI=1S/C10H9NO3S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
InChIKey
CYJJLCDCWVZEDZ-UHFFFAOYSA-N
Compound name
8-aminonaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

1832
Patents

223.03032 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03760 143.2
[M+Na]+ 246.01954 152.9
[M-H]- 222.02304 146.7
[M+NH4]+ 241.06414 162.1
[M+K]+ 261.99348 148.5
[M+H-H2O]+ 206.02758 138.0
[M+HCOO]- 268.02852 160.4
[M+CH3COO]- 282.04417 184.7
[M+Na-2H]- 244.00499 149.8
[M]+ 223.02977 144.2
[M]- 223.03087 144.2
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

patents stripe