CID 4961897

852840-61-0

Structural Information

Molecular Formula
C7H8F3NO
SMILES
C1=COC(=C1)CNCC(F)(F)F
InChI
InChI=1S/C7H8F3NO/c8-7(9,10)5-11-4-6-2-1-3-12-6/h1-3,11H,4-5H2
InChIKey
XTJFHYAWTNYDNF-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

179.0558 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06308 131.7
[M+Na]+ 202.04502 139.6
[M-H]- 178.04852 132.1
[M+NH4]+ 197.08962 151.8
[M+K]+ 218.01896 138.8
[M+H-H2O]+ 162.05306 124.0
[M+HCOO]- 224.05400 153.2
[M+CH3COO]- 238.06965 180.1
[M+Na-2H]- 200.03047 138.9
[M]+ 179.05525 128.7
[M]- 179.05635 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.