CID 2778736

4,6-difluoro-1h-indole

Structural Information

Molecular Formula
C8H5F2N
SMILES
C1=CNC2=C1C(=CC(=C2)F)F
InChI
InChI=1S/C8H5F2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H
InChIKey
MHICCULQVCEWFH-UHFFFAOYSA-N
Compound name
4,6-difluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

153.039 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04628 123.2
[M+Na]+ 176.02822 135.2
[M-H]- 152.03172 123.6
[M+NH4]+ 171.07282 145.8
[M+K]+ 192.00216 130.7
[M+H-H2O]+ 136.03626 116.2
[M+HCOO]- 198.03720 145.4
[M+CH3COO]- 212.05285 137.8
[M+Na-2H]- 174.01367 130.7
[M]+ 153.03845 121.0
[M]- 153.03955 121.0
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