CID 84076291

5-fluoro-1h-indole-4-carbaldehyde

Structural Information

Molecular Formula
C9H6FNO
SMILES
C1=CC(=C(C2=C1NC=C2)C=O)F
InChI
InChI=1S/C9H6FNO/c10-8-1-2-9-6(3-4-11-9)7(8)5-12/h1-5,11H
InChIKey
IDODFOIALPVOEQ-UHFFFAOYSA-N
Compound name
5-fluoro-1H-indole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.04333 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05061 127.7
[M+Na]+ 186.03255 139.5
[M-H]- 162.03605 129.4
[M+NH4]+ 181.07715 149.9
[M+K]+ 202.00649 135.1
[M+H-H2O]+ 146.04059 121.4
[M+HCOO]- 208.04153 151.1
[M+CH3COO]- 222.05718 174.6
[M+Na-2H]- 184.01800 135.2
[M]+ 163.04278 127.8
[M]- 163.04388 127.8
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

No patent data available for this compound.