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

42
Patents

177.05899 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.066266 131.6
[M+Na]+ 200.048208 144.2
[M-H]- 176.051714 134.9
[M+NH4]+ 195.092813 154.2
[M+K]+ 216.022148 140.6
[M+H-H2O]+ 160.056250 125.1
[M+HCOO]- 222.057191 156.1
[M+CH3COO]- 236.072841 181.4
[M+Na-2H]- 198.033656 138.3
[M]+ 177.05844142 134.2
[M]- 177.05953858 134.2
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