CID 123048

2,3,4,6-tetrafluoroaniline

Structural Information

Molecular Formula
C6H3F4N
SMILES
C1=C(C(=C(C(=C1F)F)F)N)F
InChI
InChI=1S/C6H3F4N/c7-2-1-3(8)6(11)5(10)4(2)9/h1H,11H2
InChIKey
SBYRHTZJKKWEMP-UHFFFAOYSA-N
Compound name
2,3,4,6-tetrafluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

165.02016 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02744 136.4
[M+Na]+ 188.00938 145.5
[M+NH4]+ 183.05398 142.0
[M+K]+ 203.98332 140.2
[M-H]- 164.01288 133.7
[M+Na-2H]- 185.99483 140.1
[M]+ 165.01961 136.6
[M]- 165.02071 136.6
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

patents stripe