CID 21757

2,3,4,5-tetrafluoroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

284
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

literature stripe

Patent stripe

patents stripe