CID 15614240

123973-22-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
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

No literature data available for this compound.

Patent stripe

patents stripe