CID 140051

16264-67-8

Structural Information

Molecular Formula
C8H3F4N
SMILES
C1=CNC2=C1C(=C(C(=C2F)F)F)F
InChI
InChI=1S/C8H3F4N/c9-4-3-1-2-13-8(3)7(12)6(11)5(4)10/h1-2,13H
InChIKey
DTNBMVQXEVNTLO-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrafluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

490
Patents

189.02016 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.02744 128.0
[M+Na]+ 212.00938 141.9
[M-H]- 188.01288 126.4
[M+NH4]+ 207.05398 149.6
[M+K]+ 227.98332 136.5
[M+H-H2O]+ 172.01742 119.6
[M+HCOO]- 234.01836 148.0
[M+CH3COO]- 248.03401 181.2
[M+Na-2H]- 209.99483 132.9
[M]+ 189.01961 124.4
[M]- 189.02071 124.4
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