CID 4962309

2-chloro-1-[2-(4-fluorophenyl)-1h-indol-3-yl]ethan-1-one

Structural Information

Molecular Formula
C16H11ClFNO
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)F)C(=O)CCl
InChI
InChI=1S/C16H11ClFNO/c17-9-14(20)15-12-3-1-2-4-13(12)19-16(15)10-5-7-11(18)8-6-10/h1-8,19H,9H2
InChIKey
DOHGMVUWQOAZNV-UHFFFAOYSA-N
Compound name
2-chloro-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.05133 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05861 161.7
[M+Na]+ 310.04055 173.0
[M-H]- 286.04405 166.1
[M+NH4]+ 305.08515 179.2
[M+K]+ 326.01449 165.0
[M+H-H2O]+ 270.04859 153.9
[M+HCOO]- 332.04953 178.3
[M+CH3COO]- 346.06518 173.9
[M+Na-2H]- 308.02600 165.0
[M]+ 287.05078 163.6
[M]- 287.05188 163.6
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.