CID 2776933

2,3,5-trifluoroaniline

Structural Information

Molecular Formula
C6H4F3N
SMILES
C1=C(C=C(C(=C1N)F)F)F
InChI
InChI=1S/C6H4F3N/c7-3-1-4(8)6(9)5(10)2-3/h1-2H,10H2
InChIKey
AMGDNQWQBWPRPR-UHFFFAOYSA-N
Compound name
2,3,5-trifluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

247
Patents

147.02959 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.036866 121.3
[M+Na]+ 170.018808 132.1
[M-H]- 146.022314 121.7
[M+NH4]+ 165.063413 142.8
[M+K]+ 185.992748 129.3
[M+H-H2O]+ 130.026850 113.8
[M+HCOO]- 192.027791 144.0
[M+CH3COO]- 206.043441 178.1
[M+Na-2H]- 168.004256 126.5
[M]+ 147.02904142 116.0
[M]- 147.03013858 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

literature stripe

Patent stripe

patents stripe