CID 23004696

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

Structural Information

Molecular Formula
C10H8FNO
SMILES
CN1C2=C(C=C(C=C2)F)C=C1C=O
InChI
InChI=1S/C10H8FNO/c1-12-9(6-13)5-7-4-8(11)2-3-10(7)12/h2-6H,1H3
InChIKey
VNPPQGQRPBIRPW-UHFFFAOYSA-N
Compound name
5-fluoro-1-methylindole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

177.05899 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe