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
2
Annotation Hits

0
References

154
Patents

165.02016 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.027436 123.8
[M+Na]+ 188.009378 135.6
[M-H]- 164.012884 123.2
[M+NH4]+ 183.053983 144.8
[M+K]+ 203.983318 132.3
[M+H-H2O]+ 148.017420 115.6
[M+HCOO]- 210.018361 145.4
[M+CH3COO]- 224.034011 182.2
[M+Na-2H]- 185.994826 127.7
[M]+ 165.01961142 117.6
[M]- 165.02070858 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