CID 117148

Methyl 7-amino-4-hydroxynaphthalene-2-sulfonate

Structural Information

Molecular Formula
C11H11NO4S
SMILES
COS(=O)(=O)C1=CC(=C2C=CC(=CC2=C1)N)O
InChI
InChI=1S/C11H11NO4S/c1-16-17(14,15)9-5-7-4-8(12)2-3-10(7)11(13)6-9/h2-6,13H,12H2,1H3
InChIKey
ZJYPZMUQNWFWQH-UHFFFAOYSA-N
Compound name
methyl 7-amino-4-hydroxynaphthalene-2-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.04088 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.048156 150.8
[M+Na]+ 276.030098 160.5
[M-H]- 252.033604 154.3
[M+NH4]+ 271.074703 168.5
[M+K]+ 292.004038 156.7
[M+H-H2O]+ 236.038140 145.2
[M+HCOO]- 298.039081 167.7
[M+CH3COO]- 312.054731 191.2
[M+Na-2H]- 274.015546 156.5
[M]+ 253.04033142 153.9
[M]- 253.04142858 153.9
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