CID 61712025

1909337-90-1

Structural Information

Molecular Formula
C7H8F3NO
SMILES
CC1=CC=C(O1)C(C(F)(F)F)N
InChI
InChI=1S/C7H8F3NO/c1-4-2-3-5(12-4)6(11)7(8,9)10/h2-3,6H,11H2,1H3
InChIKey
DZCLRWAAJGBYCK-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(5-methylfuran-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.0558 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06308 141.0
[M+Na]+ 202.04502 148.0
[M+NH4]+ 197.08962 146.5
[M+K]+ 218.01896 146.1
[M-H]- 178.04852 138.6
[M+Na-2H]- 200.03047 143.1
[M]+ 179.05525 140.9
[M]- 179.05635 140.9
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