CID 602856

2,4-bis(trifluoromethyl)aniline

Structural Information

Molecular Formula
C8H5F6N
SMILES
C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C8H5F6N/c9-7(10,11)4-1-2-6(15)5(3-4)8(12,13)14/h1-3H,15H2
InChIKey
UIWVOUBVGBJRNP-UHFFFAOYSA-N
Compound name
2,4-bis(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

229.03262 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.03990 160.4
[M+Na]+ 252.02184 165.4
[M+NH4]+ 247.06644 163.0
[M+K]+ 267.99578 161.4
[M-H]- 228.02534 154.4
[M+Na-2H]- 250.00729 161.4
[M]+ 229.03207 159.0
[M]- 229.03317 159.0
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