CID 67765

2,4,6-trifluoroaniline

Structural Information

Molecular Formula
C6H4F3N
SMILES
C1=C(C=C(C(=C1F)N)F)F
InChI
InChI=1S/C6H4F3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey
BJSVKBGQDHUBHZ-UHFFFAOYSA-N
Compound name
2,4,6-trifluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1407
Patents

147.02959 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.03687 121.3
[M+Na]+ 170.01881 132.1
[M-H]- 146.02231 121.7
[M+NH4]+ 165.06341 142.8
[M+K]+ 185.99275 129.3
[M+H-H2O]+ 130.02685 113.8
[M+HCOO]- 192.02779 144.0
[M+CH3COO]- 206.04344 178.1
[M+Na-2H]- 168.00426 126.5
[M]+ 147.02904 116.0
[M]- 147.03014 116.0
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

No patent data available for this compound.