CID 70046

4-(fluorosulphonyl)-1-hydroxy-2-naphthoic acid

Structural Information

Molecular Formula
C11H7FO5S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)S(=O)(=O)F
InChI
InChI=1S/C11H7FO5S/c12-18(16,17)9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)
InChIKey
CDJFAPNPVPDTDW-UHFFFAOYSA-N
Compound name
4-fluorosulfonyl-1-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

269.99982 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.00710 150.9
[M+Na]+ 292.98904 160.7
[M-H]- 268.99254 152.2
[M+NH4]+ 288.03364 167.4
[M+K]+ 308.96298 156.7
[M+H-H2O]+ 252.99708 145.0
[M+HCOO]- 314.99802 164.3
[M+CH3COO]- 329.01367 189.2
[M+Na-2H]- 290.97449 155.3
[M]+ 269.99927 153.0
[M]- 270.00037 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe