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]+ 270.068006 159.4
[M+Na]+ 292.049948 169.7
[M-H]- 268.053454 164.8
[M+NH4]+ 287.094553 177.5
[M+K]+ 308.023888 162.2
[M+H-H2O]+ 252.057990 152.4
[M+HCOO]- 314.058931 177.1
[M+CH3COO]- 328.074581 171.9
[M+Na-2H]- 290.035396 164.0
[M]+ 269.06018142 161.9
[M]- 269.06127858 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.