CID 1132969

5-fluoro-3-methyl-1h-indole-2-carbaldehyde

Structural Information

Molecular Formula
C10H8FNO
SMILES
CC1=C(NC2=C1C=C(C=C2)F)C=O
InChI
InChI=1S/C10H8FNO/c1-6-8-4-7(11)2-3-9(8)12-10(6)5-13/h2-5,12H,1H3
InChIKey
IOXCNOLBLABFGH-UHFFFAOYSA-N
Compound name
5-fluoro-3-methyl-1H-indole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

177.05899 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06627 132.2
[M+Na]+ 200.04821 144.5
[M-H]- 176.05171 134.2
[M+NH4]+ 195.09281 154.1
[M+K]+ 216.02215 139.9
[M+H-H2O]+ 160.05625 126.0
[M+HCOO]- 222.05719 155.2
[M+CH3COO]- 236.07284 178.7
[M+Na-2H]- 198.03366 138.5
[M]+ 177.05844 133.0
[M]- 177.05954 133.0
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