CID 3009210

2,4-dichloro-n-phenoxathiin-2-yl-benzamide

Structural Information

Molecular Formula
C19H11Cl2NO2S
SMILES
C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H11Cl2NO2S/c20-11-5-7-13(14(21)9-11)19(23)22-12-6-8-16-18(10-12)25-17-4-2-1-3-15(17)24-16/h1-10H,(H,22,23)
InChIKey
HUIJCMKEPXMTAX-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-phenoxathiin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.98877 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.99605 181.3
[M+Na]+ 409.97799 191.5
[M-H]- 385.98149 189.9
[M+NH4]+ 405.02259 195.5
[M+K]+ 425.95193 185.3
[M+H-H2O]+ 369.98603 175.2
[M+HCOO]- 431.98697 187.6
[M+CH3COO]- 446.00262 192.0
[M+Na-2H]- 407.96344 186.1
[M]+ 386.98822 187.5
[M]- 386.98932 187.5
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.