CID 53426611

4-fluoro-1h-indole-2-carbaldehyde

Structural Information

Molecular Formula
C9H6FNO
SMILES
C1=CC2=C(C=C(N2)C=O)C(=C1)F
InChI
InChI=1S/C9H6FNO/c10-8-2-1-3-9-7(8)4-6(5-12)11-9/h1-5,11H
InChIKey
GBKYNXGDDVUPEV-UHFFFAOYSA-N
Compound name
4-fluoro-1H-indole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

163.04333 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05061 130.2
[M+Na]+ 186.03255 143.6
[M+NH4]+ 181.07715 138.6
[M+K]+ 202.00649 138.4
[M-H]- 162.03605 130.4
[M+Na-2H]- 184.01800 136.6
[M]+ 163.04278 132.0
[M]- 163.04388 132.0
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