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

351
Patents

229.03262 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.039896 140.4
[M+Na]+ 252.021838 150.5
[M-H]- 228.025344 136.6
[M+NH4]+ 247.066443 158.2
[M+K]+ 267.995778 146.7
[M+H-H2O]+ 212.029880 130.5
[M+HCOO]- 274.030821 155.9
[M+CH3COO]- 288.046471 191.3
[M+Na-2H]- 250.007286 144.6
[M]+ 229.03207142 130.2
[M]- 229.03316858 130.2
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