CID 1369

8-anilino-1-naphthalenesulfonic acid

Structural Information

Molecular Formula
C16H13NO3S
SMILES
C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O
InChI
InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
InChIKey
FWEOQOXTVHGIFQ-UHFFFAOYSA-N
Compound name
8-anilinonaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

928
References

13081
Patents

299.0616 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.068876 164.1
[M+Na]+ 322.050818 172.6
[M-H]- 298.054324 170.7
[M+NH4]+ 317.095423 179.6
[M+K]+ 338.024758 166.9
[M+H-H2O]+ 282.058860 157.0
[M+HCOO]- 344.059801 181.5
[M+CH3COO]- 358.075451 199.4
[M+Na-2H]- 320.036266 171.5
[M]+ 299.06105142 165.6
[M]- 299.06214858 165.6
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