CID 617264

2-(4-fluorophenyl)-1h-indole-3-carboxaldehyde

Structural Information

Molecular Formula
C15H10FNO
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)F)C=O
InChI
InChI=1S/C15H10FNO/c16-11-7-5-10(6-8-11)15-13(9-18)12-3-1-2-4-14(12)17-15/h1-9,17H
InChIKey
RLQLBZDVAGJSFK-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

239.07465 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08193 149.9
[M+Na]+ 262.06387 161.2
[M-H]- 238.06737 154.7
[M+NH4]+ 257.10847 168.7
[M+K]+ 278.03781 154.7
[M+H-H2O]+ 222.07191 141.9
[M+HCOO]- 284.07285 172.6
[M+CH3COO]- 298.08850 163.2
[M+Na-2H]- 260.04932 155.6
[M]+ 239.07410 149.9
[M]- 239.07520 149.9
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