CID 21432552

5-fluoro-1-methyl-2-phenyl-1h-indole

Structural Information

Molecular Formula
C15H12FN
SMILES
CN1C2=C(C=C(C=C2)F)C=C1C3=CC=CC=C3
InChI
InChI=1S/C15H12FN/c1-17-14-8-7-13(16)9-12(14)10-15(17)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
ZDRZZSGZBFXYRI-UHFFFAOYSA-N
Compound name
5-fluoro-1-methyl-2-phenylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

225.09538 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.102656 147.1
[M+Na]+ 248.084598 158.8
[M-H]- 224.088104 153.3
[M+NH4]+ 243.129203 167.4
[M+K]+ 264.058538 153.1
[M+H-H2O]+ 208.092640 138.9
[M+HCOO]- 270.093581 170.9
[M+CH3COO]- 284.109231 161.3
[M+Na-2H]- 246.070046 153.2
[M]+ 225.09483142 148.3
[M]- 225.09592858 148.3
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

patents stripe