CID 289369

4'-fluorosulfonyl-1-hydroxy-2'-nitro-2-naphthanilide

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 180.1
[M+Na]+ 413.02142 186.2
[M-H]- 389.02492 185.1
[M+NH4]+ 408.06602 190.2
[M+K]+ 428.99536 177.3
[M+H-H2O]+ 373.02946 175.6
[M+HCOO]- 435.03040 195.7
[M+CH3COO]- 449.04605 210.0
[M+Na-2H]- 411.00687 187.2
[M]+ 390.03165 179.6
[M]- 390.03275 179.6
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