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

5
Patents

225.09538 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10266 147.1
[M+Na]+ 248.08460 158.8
[M-H]- 224.08810 153.3
[M+NH4]+ 243.12920 167.4
[M+K]+ 264.05854 153.1
[M+H-H2O]+ 208.09264 138.9
[M+HCOO]- 270.09358 170.9
[M+CH3COO]- 284.10923 161.3
[M+Na-2H]- 246.07005 153.2
[M]+ 225.09483 148.3
[M]- 225.09593 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