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

27
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 136.7
[M+Na]+ 234.03240 143.8
[M-H]- 210.03590 127.6
[M+NH4]+ 229.07700 153.9
[M+K]+ 250.00634 142.2
[M+H-H2O]+ 194.04044 127.7
[M+HCOO]- 256.04138 148.4
[M+CH3COO]- 270.05703 185.9
[M+Na-2H]- 232.01785 138.3
[M]+ 211.04263 124.8
[M]- 211.04373 124.8
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