CID 83916787

2193061-99-1

Structural Information

Molecular Formula
C5H7F6NO
SMILES
C(CN)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C5H7F6NO/c6-4(7,8)3(13,1-2-12)5(9,10)11/h13H,1-2,12H2
InChIKey
WJWQHPVACSJVMG-UHFFFAOYSA-N
Compound name
4-amino-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

211.04318 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05046 159.4
[M+Na]+ 234.03240 161.7
[M+NH4]+ 229.07700 160.7
[M+K]+ 250.00634 159.4
[M-H]- 210.03590 150.6
[M+Na-2H]- 232.01785 157.6
[M]+ 211.04263 156.7
[M]- 211.04373 156.7
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