CID 81242

6780-38-7

Structural Information

Molecular Formula
C10H6ClNO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)Cl
InChI
InChI=1S/C10H6ClNO3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2
InChIKey
RHZBRCQIKQUQHQ-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

692
Patents

223.00362 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01090 142.5
[M+Na]+ 245.99284 155.4
[M+NH4]+ 241.03744 150.3
[M+K]+ 261.96678 151.2
[M-H]- 221.99634 142.8
[M+Na-2H]- 243.97829 146.7
[M]+ 223.00307 144.4
[M]- 223.00417 144.4
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