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

No literature data available for this compound.

Patent stripe

patents stripe