CID 362457

1-acetyl-5-chloro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C10H6ClNO3
SMILES
CC(=O)N1C2=C(C=C(C=C2)Cl)C(=O)C1=O
InChI
InChI=1S/C10H6ClNO3/c1-5(13)12-8-3-2-6(11)4-7(8)9(14)10(12)15/h2-4H,1H3
InChIKey
JQIWWFPOUCJCEN-UHFFFAOYSA-N
Compound name
1-acetyl-5-chloroindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

223.00362 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01090 142.1
[M+Na]+ 245.99284 154.4
[M-H]- 221.99634 146.4
[M+NH4]+ 241.03744 163.5
[M+K]+ 261.96678 150.2
[M+H-H2O]+ 206.00088 137.5
[M+HCOO]- 268.00182 159.9
[M+CH3COO]- 282.01747 187.0
[M+Na-2H]- 243.97829 145.2
[M]+ 223.00307 146.1
[M]- 223.00417 146.1
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