CID 4614410

331460-61-8

Structural Information

Molecular Formula
C19H13Cl2NO3S
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H13Cl2NO3S/c20-15-3-7-17(8-4-15)22-13-14-1-9-18(10-2-14)25-26(23,24)19-11-5-16(21)6-12-19/h1-13H
InChIKey
MESJQFAORLPYCT-UHFFFAOYSA-N
Compound name
[4-[(4-chlorophenyl)iminomethyl]phenyl] 4-chlorobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

404.99933 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.00661 190.3
[M+Na]+ 427.98855 200.5
[M-H]- 403.99205 201.3
[M+NH4]+ 423.03315 203.3
[M+K]+ 443.96249 193.0
[M+H-H2O]+ 387.99659 182.7
[M+HCOO]- 449.99753 201.8
[M+CH3COO]- 464.01318 218.7
[M+Na-2H]- 425.97400 193.9
[M]+ 404.99878 198.1
[M]- 404.99988 198.1
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