CID 4450315

331460-70-9

Structural Information

Molecular Formula
C19H13ClFNO3S
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)F)OS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H13ClFNO3S/c20-15-3-11-19(12-4-15)26(23,24)25-18-9-1-14(2-10-18)13-22-17-7-5-16(21)6-8-17/h1-13H
InChIKey
JXBAYYCRCVXIKD-UHFFFAOYSA-N
Compound name
[4-[(4-fluorophenyl)iminomethyl]phenyl] 4-chlorobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.02887 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.03615 187.0
[M+Na]+ 412.01809 196.9
[M-H]- 388.02159 197.2
[M+NH4]+ 407.06269 199.9
[M+K]+ 427.99203 189.8
[M+H-H2O]+ 372.02613 177.6
[M+HCOO]- 434.02707 202.4
[M+CH3COO]- 448.04272 217.3
[M+Na-2H]- 410.00354 190.7
[M]+ 389.02832 192.5
[M]- 389.02942 192.5
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.