CID 36687956

5-chloro-2-(4-methoxyphenyl)-1h-indole

Structural Information

Molecular Formula
C15H12ClNO
SMILES
COC1=CC=C(C=C1)C2=CC3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C15H12ClNO/c1-18-13-5-2-10(3-6-13)15-9-11-8-12(16)4-7-14(11)17-15/h2-9,17H,1H3
InChIKey
AZPFXZROPRQULL-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-methoxyphenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.06073 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06801 155.4
[M+Na]+ 280.04995 167.2
[M-H]- 256.05345 161.3
[M+NH4]+ 275.09455 174.5
[M+K]+ 296.02389 160.1
[M+H-H2O]+ 240.05799 148.7
[M+HCOO]- 302.05893 174.3
[M+CH3COO]- 316.07458 168.8
[M+Na-2H]- 278.03540 161.1
[M]+ 257.06018 159.3
[M]- 257.06128 159.3
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

No patent data available for this compound.