CID 75377

4-fluoro-3-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H5F4N
SMILES
C1=CC(=C(C=C1N)C(F)(F)F)F
InChI
InChI=1S/C7H5F4N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
InChIKey
PGFQDLOMDIBAPY-UHFFFAOYSA-N
Compound name
4-fluoro-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1544
Patents

179.03581 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04309 140.6
[M+Na]+ 202.02503 148.7
[M+NH4]+ 197.06963 145.8
[M+K]+ 217.99897 143.8
[M-H]- 178.02853 137.2
[M+Na-2H]- 200.01048 144.3
[M]+ 179.03526 140.4
[M]- 179.03636 140.4
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