CID 5122216

2-(4-chlorophenyl)-1-ethylindole

Structural Information

Molecular Formula
C16H14ClN
SMILES
CCN1C2=CC=CC=C2C=C1C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H14ClN/c1-2-18-15-6-4-3-5-13(15)11-16(18)12-7-9-14(17)10-8-12/h3-11H,2H2,1H3
InChIKey
RDGJHACBRDMTRY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-ethylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

255.08148 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08876 157.0
[M+Na]+ 278.07070 168.9
[M-H]- 254.07420 163.9
[M+NH4]+ 273.11530 176.9
[M+K]+ 294.04464 161.7
[M+H-H2O]+ 238.07874 149.8
[M+HCOO]- 300.07968 176.7
[M+CH3COO]- 314.09533 170.7
[M+Na-2H]- 276.05615 162.4
[M]+ 255.08093 161.5
[M]- 255.08203 161.5
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