CID 6484115

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

Structural Information

Molecular Formula
C10H8FNO
SMILES
CC1=C(C2=C(N1)C=CC(=C2)F)C=O
InChI
InChI=1S/C10H8FNO/c1-6-9(5-13)8-4-7(11)2-3-10(8)12-6/h2-5,12H,1H3
InChIKey
FISQQNGEDJOACY-UHFFFAOYSA-N
Compound name
5-fluoro-2-methyl-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

177.05899 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.066266 132.2
[M+Na]+ 200.048208 144.5
[M-H]- 176.051714 134.2
[M+NH4]+ 195.092813 154.1
[M+K]+ 216.022148 139.9
[M+H-H2O]+ 160.056250 126.0
[M+HCOO]- 222.057191 155.2
[M+CH3COO]- 236.072841 178.7
[M+Na-2H]- 198.033656 138.5
[M]+ 177.05844142 133.0
[M]- 177.05953858 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

No literature data available for this compound.

Patent stripe

patents stripe