CID 3653634

55613-58-6

Structural Information

Molecular Formula
C9H9ClN2O
SMILES
C1CN(C2=C1C=C(C=C2)Cl)C(=O)N
InChI
InChI=1S/C9H9ClN2O/c10-7-1-2-8-6(5-7)3-4-12(8)9(11)13/h1-2,5H,3-4H2,(H2,11,13)
InChIKey
BOMYLDVQOSGKAD-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dihydroindole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.04034 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.047616 140.3
[M+Na]+ 219.029558 149.9
[M-H]- 195.033064 143.2
[M+NH4]+ 214.074163 161.8
[M+K]+ 235.003498 145.5
[M+H-H2O]+ 179.037600 134.8
[M+HCOO]- 241.038541 157.9
[M+CH3COO]- 255.054191 183.3
[M+Na-2H]- 217.015006 144.3
[M]+ 196.03979142 139.8
[M]- 196.04088858 139.8
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

No patent data available for this compound.