CID 77468

2,3,4-trifluoroaniline

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1041
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 128.6
[M+Na]+ 170.01881 139.0
[M+NH4]+ 165.06341 135.5
[M+K]+ 185.99275 133.2
[M-H]- 146.02231 127.4
[M+Na-2H]- 168.00426 133.8
[M]+ 147.02904 129.4
[M]- 147.03014 129.4
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