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]+ 258.07118 149.5
[M+Na]+ 280.05312 159.0
[M-H]- 256.05662 145.5
[M+NH4]+ 275.09772 166.3
[M+K]+ 296.02706 154.7
[M+H-H2O]+ 240.06116 138.9
[M+HCOO]- 302.06210 165.0
[M+CH3COO]- 316.07775 199.5
[M+Na-2H]- 278.03857 150.0
[M]+ 257.06335 140.5
[M]- 257.06445 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