CID 2775015

2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid hydrochloride

Structural Information

Molecular Formula
C6H7F6NO2
SMILES
C(C(C(=O)O)N)C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H7F6NO2/c7-5(8,9)3(6(10,11)12)1-2(13)4(14)15/h2-3H,1,13H2,(H,14,15)
InChIKey
MNZLMQYCEWHPPS-UHFFFAOYSA-N
Compound name
2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

1012
Patents

239.0381 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04538 162.9
[M+Na]+ 262.02732 164.2
[M+NH4]+ 257.07192 163.4
[M+K]+ 278.00126 162.9
[M-H]- 238.03082 153.4
[M+Na-2H]- 260.01277 159.9
[M]+ 239.03755 159.7
[M]- 239.03865 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe