CID 1382009

5-fluoro-1-methyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C10H8FNO
SMILES
CN1C=C(C2=C1C=CC(=C2)F)C=O
InChI
InChI=1S/C10H8FNO/c1-12-5-7(6-13)9-4-8(11)2-3-10(9)12/h2-6H,1H3
InChIKey
ZBZJEWSFESAGMQ-UHFFFAOYSA-N
Compound name
5-fluoro-1-methylindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

37
Patents

177.05899 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06627 134.5
[M+Na]+ 200.04821 148.6
[M+NH4]+ 195.09281 143.2
[M+K]+ 216.02215 143.1
[M-H]- 176.05171 135.3
[M+Na-2H]- 198.03366 141.0
[M]+ 177.05844 136.7
[M]- 177.05954 136.7
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