CID 4619217

3-((4-chlorophenyl)carbamoyl)-4-hydroxynaphthalene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C17H11ClFNO4S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)NC3=CC=C(C=C3)Cl)S(=O)(=O)F
InChI
InChI=1S/C17H11ClFNO4S/c18-10-5-7-11(8-6-10)20-17(22)14-9-15(25(19,23)24)12-3-1-2-4-13(12)16(14)21/h1-9,21H,(H,20,22)
InChIKey
KGOWWBNDOZOMEF-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)carbamoyl]-4-hydroxynaphthalene-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

379.00815 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.015426 179.0
[M+Na]+ 401.997368 189.0
[M-H]- 378.000874 184.8
[M+NH4]+ 397.041973 192.4
[M+K]+ 417.971308 182.3
[M+H-H2O]+ 362.005410 172.1
[M+HCOO]- 424.006351 189.8
[M+CH3COO]- 438.022001 212.8
[M+Na-2H]- 399.982816 183.1
[M]+ 379.00760142 183.2
[M]- 379.00869858 183.2
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