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

20
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 136.8
[M+Na]+ 234.03240 144.7
[M-H]- 210.03590 128.0
[M+NH4]+ 229.07700 154.1
[M+K]+ 250.00634 142.6
[M+H-H2O]+ 194.04044 128.3
[M+HCOO]- 256.04138 148.9
[M+CH3COO]- 270.05703 184.8
[M+Na-2H]- 232.01785 141.7
[M]+ 211.04263 125.6
[M]- 211.04373 125.6
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