CID 117596

5-chloroindoline

Structural Information

Molecular Formula
C8H8ClN
SMILES
C1CNC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C8H8ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
InChIKey
YMCIVAPEOZDEGH-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1393
Patents

153.03453 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.041806 129.1
[M+Na]+ 176.023748 138.7
[M-H]- 152.027254 130.8
[M+NH4]+ 171.068353 152.0
[M+K]+ 191.997688 133.7
[M+H-H2O]+ 136.031790 124.1
[M+HCOO]- 198.032731 145.7
[M+CH3COO]- 212.048381 142.8
[M+Na-2H]- 174.009196 135.7
[M]+ 153.03398142 127.6
[M]- 153.03507858 127.6
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