CID 28370952

1019449-74-1

Structural Information

Molecular Formula
C10H9F6N
SMILES
C1=CC(=CC=C1CNCC(F)(F)F)C(F)(F)F
InChI
InChI=1S/C10H9F6N/c11-9(12,13)6-17-5-7-1-3-8(4-2-7)10(14,15)16/h1-4,17H,5-6H2
InChIKey
PDGDETWEALCUJJ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0639 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07118 165.8
[M+Na]+ 280.05312 170.5
[M+NH4]+ 275.09772 168.3
[M+K]+ 296.02706 166.0
[M-H]- 256.05662 159.8
[M+Na-2H]- 278.03857 167.0
[M]+ 257.06335 164.4
[M]- 257.06445 164.4
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.