CID 1481661

120740-09-2

Structural Information

Molecular Formula
C12H7ClN2O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CN=C(S3)Cl
InChI
InChI=1S/C12H7ClN2O2S/c13-12-14-5-7(18-12)6-15-10(16)8-3-1-2-4-9(8)11(15)17/h1-5H,6H2
InChIKey
KZDJNJBEHMLRES-UHFFFAOYSA-N
Compound name
2-[(2-chloro-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

277.99167 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.99895 159.3
[M+Na]+ 300.98089 173.1
[M+NH4]+ 296.02549 168.1
[M+K]+ 316.95483 167.3
[M-H]- 276.98439 161.9
[M+Na-2H]- 298.96634 164.5
[M]+ 277.99112 162.7
[M]- 277.99222 162.7
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