CID 11020982

Methyl (2s)-2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoate hydrochloride

Structural Information

Molecular Formula
C6H7F6NO2
SMILES
COC(=O)[C@H](C(C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C6H7F6NO2/c1-15-4(14)2(13)3(5(7,8)9)6(10,11)12/h2-3H,13H2,1H3/t2-/m0/s1
InChIKey
KSIDOGURSVEJEZ-REOHCLBHSA-N
Compound name
methyl (2S)-2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

239.0381 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04538 142.1
[M+Na]+ 262.02732 149.3
[M-H]- 238.03082 134.5
[M+NH4]+ 257.07192 158.8
[M+K]+ 278.00126 148.8
[M+H-H2O]+ 222.03536 132.8
[M+HCOO]- 284.03630 154.5
[M+CH3COO]- 298.05195 192.7
[M+Na-2H]- 260.01277 142.7
[M]+ 239.03755 132.6
[M]- 239.03865 132.6
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