CID 455121

Thiazoloisoindol-5-one deriv. 49

Structural Information

Molecular Formula
C16H12ClNOS
SMILES
C1CSC2(N1C(=O)C3=C2C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C16H12ClNOS/c17-12-6-7-14-13(10-12)15(19)18-8-9-20-16(14,18)11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKey
HFHMTIRZGGSTAO-UHFFFAOYSA-N
Compound name
7-chloro-9b-phenyl-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

301.0328 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04008 168.9
[M+Na]+ 324.02202 181.0
[M-H]- 300.02552 177.1
[M+NH4]+ 319.06662 192.2
[M+K]+ 339.99596 174.3
[M+H-H2O]+ 284.03006 163.7
[M+HCOO]- 346.03100 181.0
[M+CH3COO]- 360.04665 181.8
[M+Na-2H]- 322.00747 170.0
[M]+ 301.03225 172.9
[M]- 301.03335 172.9
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