CID 110415

1-naphthalenesulfonic acid, 3-hydroxy-7-nitro-

Structural Information

Molecular Formula
C10H7NO6S
SMILES
C1=CC(=CC2=C(C=C(C=C21)O)S(=O)(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H7NO6S/c12-8-3-6-1-2-7(11(13)14)4-9(6)10(5-8)18(15,16)17/h1-5,12H,(H,15,16,17)
InChIKey
ZLQRTXWMPHELNM-UHFFFAOYSA-N
Compound name
3-hydroxy-7-nitronaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

268.99942 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.00670 149.3
[M+Na]+ 291.98864 157.5
[M-H]- 267.99214 152.0
[M+NH4]+ 287.03324 164.9
[M+K]+ 307.96258 149.8
[M+H-H2O]+ 251.99668 148.4
[M+HCOO]- 313.99762 165.7
[M+CH3COO]- 328.01327 182.1
[M+Na-2H]- 289.97409 158.1
[M]+ 268.99887 150.1
[M]- 268.99997 150.1
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