CID 16119776

929975-10-0

Structural Information

Molecular Formula
C7H12F3NO2
SMILES
CCO/C=C/C(CN)(C(F)(F)F)O
InChI
InChI=1S/C7H12F3NO2/c1-2-13-4-3-6(12,5-11)7(8,9)10/h3-4,12H,2,5,11H2,1H3/b4-3+
InChIKey
UMACIHMNGIOELS-ONEGZZNKSA-N
Compound name
(E)-2-(aminomethyl)-4-ethoxy-1,1,1-trifluorobut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08202 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.089296 140.3
[M+Na]+ 222.071238 147.2
[M-H]- 198.074744 134.8
[M+NH4]+ 217.115843 158.4
[M+K]+ 238.045178 145.2
[M+H-H2O]+ 182.079280 133.7
[M+HCOO]- 244.080221 157.1
[M+CH3COO]- 258.095871 182.5
[M+Na-2H]- 220.056686 145.2
[M]+ 199.08147142 135.4
[M]- 199.08256858 135.4
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

No patent data available for this compound.