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 132.4
[M+Na]+ 202.04502 141.0
[M-H]- 178.04852 132.8
[M+NH4]+ 197.08962 152.6
[M+K]+ 218.01896 140.3
[M+H-H2O]+ 162.05306 125.1
[M+HCOO]- 224.05400 152.2
[M+CH3COO]- 238.06965 181.4
[M+Na-2H]- 200.03047 136.7
[M]+ 179.05525 128.0
[M]- 179.05635 128.0
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