CID 455103

Thiazoloisoindol-5-one deriv. 29

Structural Information

Molecular Formula
C16H11Cl2NOS
SMILES
C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C16H11Cl2NOS/c17-13-6-5-10(9-14(13)18)16-12-4-2-1-3-11(12)15(20)19(16)7-8-21-16/h1-6,9H,7-8H2
InChIKey
NSUCSRJBQABYAK-UHFFFAOYSA-N
Compound name
9b-(3,4-dichlorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

334.99384 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.00112 176.4
[M+Na]+ 357.98306 189.4
[M-H]- 333.98656 184.1
[M+NH4]+ 353.02766 198.8
[M+K]+ 373.95700 181.8
[M+H-H2O]+ 317.99110 171.7
[M+HCOO]- 379.99204 183.2
[M+CH3COO]- 394.00769 188.5
[M+Na-2H]- 355.96851 175.9
[M]+ 334.99329 181.6
[M]- 334.99439 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe