CID 132371606

2155840-22-3

Structural Information

Molecular Formula
C10H9F6N
SMILES
C1=C(C(=CC(=C1F)F)F)C[C@H](CC(F)(F)F)N
InChI
InChI=1S/C10H9F6N/c11-7-3-9(13)8(12)2-5(7)1-6(17)4-10(14,15)16/h2-3,6H,1,4,17H2/t6-/m1/s1
InChIKey
KKLWGJFLKANWIP-ZCFIWIBFSA-N
Compound name
(2R)-4,4,4-trifluoro-1-(2,4,5-trifluorophenyl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

257.0639 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.071176 149.5
[M+Na]+ 280.053118 159.0
[M-H]- 256.056624 145.5
[M+NH4]+ 275.097723 166.3
[M+K]+ 296.027058 154.7
[M+H-H2O]+ 240.061160 138.9
[M+HCOO]- 302.062101 165.0
[M+CH3COO]- 316.077751 199.5
[M+Na-2H]- 278.038566 150.0
[M]+ 257.06335142 140.5
[M]- 257.06444858 140.5
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