CID 274562

1-hydroxy-5'-fluorosulfonyl-2-naphth-o-anisidide

Structural Information

Molecular Formula
C18H14FNO5S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)F)NC(=O)C2=C(C3=CC=CC=C3C=C2)O
InChI
InChI=1S/C18H14FNO5S/c1-25-16-9-7-12(26(19,23)24)10-15(16)20-18(22)14-8-6-11-4-2-3-5-13(11)17(14)21/h2-10,21H,1H3,(H,20,22)
InChIKey
UPDDSBQCKZFKOS-UHFFFAOYSA-N
Compound name
3-[(1-hydroxynaphthalene-2-carbonyl)amino]-4-methoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.05768 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.06496 181.5
[M+Na]+ 398.04690 189.9
[M-H]- 374.05040 186.9
[M+NH4]+ 393.09150 193.8
[M+K]+ 414.02084 185.1
[M+H-H2O]+ 358.05494 173.0
[M+HCOO]- 420.05588 196.4
[M+CH3COO]- 434.07153 214.5
[M+Na-2H]- 396.03235 185.5
[M]+ 375.05713 184.9
[M]- 375.05823 184.9
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

No patent data available for this compound.