CID 83396396

2839157-50-3

Structural Information

Molecular Formula
C9H10F3NO
SMILES
C1=C(C(=CC(=C1F)F)F)OCCCN
InChI
InChI=1S/C9H10F3NO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,1-3,13H2
InChIKey
AQLJNIZGKRSWQC-UHFFFAOYSA-N
Compound name
3-(2,4,5-trifluorophenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.07144 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.078716 138.8
[M+Na]+ 228.060658 148.2
[M-H]- 204.064164 138.5
[M+NH4]+ 223.105263 157.8
[M+K]+ 244.034598 145.1
[M+H-H2O]+ 188.068700 130.3
[M+HCOO]- 250.069641 160.7
[M+CH3COO]- 264.085291 189.2
[M+Na-2H]- 226.046106 142.2
[M]+ 205.07089142 136.0
[M]- 205.07198858 136.0
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

No patent data available for this compound.