CID 2119872

2-chloro-1-(2-phenyl-1h-indol-3-yl)ethan-1-one

Structural Information

Molecular Formula
C16H12ClNO
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)CCl
InChI
InChI=1S/C16H12ClNO/c17-10-14(19)15-12-8-4-5-9-13(12)18-16(15)11-6-2-1-3-7-11/h1-9,18H,10H2
InChIKey
QXRBUGZOPDWQSM-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-phenyl-1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.06073 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06801 159.4
[M+Na]+ 292.04995 169.7
[M-H]- 268.05345 164.8
[M+NH4]+ 287.09455 177.5
[M+K]+ 308.02389 162.2
[M+H-H2O]+ 252.05799 152.4
[M+HCOO]- 314.05893 177.1
[M+CH3COO]- 328.07458 171.9
[M+Na-2H]- 290.03540 164.0
[M]+ 269.06018 161.9
[M]- 269.06128 161.9
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.