CID 3056286

Brn 5104168

Structural Information

Molecular Formula
C17H10ClNO3S
SMILES
C1=CC=C(C=C1)C2=NC(=CC(=O)S2)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H10ClNO3S/c18-13-9-5-4-8-12(13)17(21)22-14-10-15(20)23-16(19-14)11-6-2-1-3-7-11/h1-10H
InChIKey
FRXMMGRDNYTKMC-UHFFFAOYSA-N
Compound name
(6-oxo-2-phenyl-1,3-thiazin-4-yl) 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.007 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.01428 173.4
[M+Na]+ 365.99622 183.8
[M-H]- 341.99972 182.6
[M+NH4]+ 361.04082 186.6
[M+K]+ 381.97016 177.2
[M+H-H2O]+ 326.00426 165.0
[M+HCOO]- 388.00520 187.2
[M+CH3COO]- 402.02085 185.1
[M+Na-2H]- 363.98167 176.1
[M]+ 343.00645 179.1
[M]- 343.00755 179.1
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

No patent data available for this compound.