CID 18940894

162100-51-8

Structural Information

Molecular Formula
C8H7Cl2N
SMILES
C1CNC2=C1C(=C(C=C2)Cl)Cl
InChI
InChI=1S/C8H7Cl2N/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-2,11H,3-4H2
InChIKey
KOKCBQMIPIZDIU-UHFFFAOYSA-N
Compound name
4,5-dichloro-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

186.99556 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.00284 136.0
[M+Na]+ 209.98478 146.8
[M-H]- 185.98828 137.2
[M+NH4]+ 205.02938 158.1
[M+K]+ 225.95872 140.4
[M+H-H2O]+ 169.99282 131.6
[M+HCOO]- 231.99376 147.4
[M+CH3COO]- 246.00941 149.1
[M+Na-2H]- 207.97023 140.9
[M]+ 186.99501 135.8
[M]- 186.99611 135.8
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

patents stripe