CID 289369

1868-64-0

Structural Information

Molecular Formula
C17H11FN2O6S
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=C(C=C(C=C3)S(=O)(=O)F)[N+](=O)[O-]
InChI
InChI=1S/C17H11FN2O6S/c18-27(25,26)11-6-8-14(15(9-11)20(23)24)19-17(22)13-7-5-10-3-1-2-4-12(10)16(13)21/h1-9,21H,(H,19,22)
InChIKey
LYEFVXNLPOHNLG-UHFFFAOYSA-N
Compound name
4-[(1-hydroxynaphthalene-2-carbonyl)amino]-3-nitrobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

390.0322 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.03948 176.2
[M+Na]+ 413.02142 188.0
[M+NH4]+ 408.06602 181.4
[M+K]+ 428.99536 184.5
[M-H]- 389.02492 178.6
[M+Na-2H]- 411.00687 182.5
[M]+ 390.03165 178.7
[M]- 390.03275 178.7
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