CID 175794530

7-fluoro-1h-indole-4-carbaldehyde

Structural Information

Molecular Formula
C9H6FNO
SMILES
C1=CC(=C2C(=C1C=O)C=CN2)F
InChI
InChI=1S/C9H6FNO/c10-8-2-1-6(5-12)7-3-4-11-9(7)8/h1-5,11H
InChIKey
VQHMBNPHNSUGKN-UHFFFAOYSA-N
Compound name
7-fluoro-1H-indole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

163.04333 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.