CID 25022953

(2s)-2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol hydrochloride

Structural Information

Molecular Formula
C5H7F6NO
SMILES
C([C@H](C(C(F)(F)F)C(F)(F)F)N)O
InChI
InChI=1S/C5H7F6NO/c6-4(7,8)3(2(12)1-13)5(9,10)11/h2-3,13H,1,12H2/t2-/m1/s1
InChIKey
OCQSSEXKSFDUAH-UWTATZPHSA-N
Compound name
(2S)-2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

211.04318 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05046 158.0
[M+Na]+ 234.03240 159.9
[M+NH4]+ 229.07700 159.3
[M+K]+ 250.00634 158.0
[M-H]- 210.03590 149.2
[M+Na-2H]- 232.01785 155.8
[M]+ 211.04263 155.1
[M]- 211.04373 155.1
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