CID 2736577

2-(3-chloro-4-fluorophenyl)indole

Structural Information

Molecular Formula
C14H9ClFN
SMILES
C1=CC=C2C(=C1)C=C(N2)C3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C14H9ClFN/c15-11-7-10(5-6-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8,17H
InChIKey
QNYJRNHACDLRSI-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-fluorophenyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

245.04076 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04804 149.8
[M+Na]+ 268.02998 162.2
[M-H]- 244.03348 154.4
[M+NH4]+ 263.07458 169.4
[M+K]+ 284.00392 154.2
[M+H-H2O]+ 228.03802 142.5
[M+HCOO]- 290.03896 167.7
[M+CH3COO]- 304.05461 163.2
[M+Na-2H]- 266.01543 155.4
[M]+ 245.04021 151.0
[M]- 245.04131 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe