CID 7006578

2,6-bis(trifluoromethyl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

357
Patents

229.03262 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.03990 140.4
[M+Na]+ 252.02184 150.5
[M-H]- 228.02534 136.6
[M+NH4]+ 247.06644 158.2
[M+K]+ 267.99578 146.7
[M+H-H2O]+ 212.02988 130.5
[M+HCOO]- 274.03082 155.9
[M+CH3COO]- 288.04647 191.3
[M+Na-2H]- 250.00729 144.6
[M]+ 229.03207 130.2
[M]- 229.03317 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