CID 259089

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

Structural Information

Molecular Formula
C9H6FNO
SMILES
C1=CC2=C(C=C1F)C(=CN2)C=O
InChI
InChI=1S/C9H6FNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H
InChIKey
YUAJKGBLPVLADK-UHFFFAOYSA-N
Compound name
5-fluoro-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

555
Patents

163.04333 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.050606 127.7
[M+Na]+ 186.032548 139.5
[M-H]- 162.036054 129.4
[M+NH4]+ 181.077153 149.9
[M+K]+ 202.006488 135.1
[M+H-H2O]+ 146.040590 121.4
[M+HCOO]- 208.041531 151.1
[M+CH3COO]- 222.057181 174.6
[M+Na-2H]- 184.017996 135.2
[M]+ 163.04278142 127.8
[M]- 163.04387858 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

literature stripe

Patent stripe

patents stripe