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

144
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 123.8
[M+Na]+ 188.00938 135.6
[M-H]- 164.01288 123.2
[M+NH4]+ 183.05398 144.8
[M+K]+ 203.98332 132.3
[M+H-H2O]+ 148.01742 115.6
[M+HCOO]- 210.01836 145.4
[M+CH3COO]- 224.03401 182.2
[M+Na-2H]- 185.99483 127.7
[M]+ 165.01961 117.6
[M]- 165.02071 117.6
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