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

12
Patents

379.00815 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.01543 179.0
[M+Na]+ 401.99737 189.0
[M-H]- 378.00087 184.8
[M+NH4]+ 397.04197 192.4
[M+K]+ 417.97131 182.3
[M+H-H2O]+ 362.00541 172.1
[M+HCOO]- 424.00635 189.8
[M+CH3COO]- 438.02200 212.8
[M+Na-2H]- 399.98282 183.1
[M]+ 379.00760 183.2
[M]- 379.00870 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