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]+ 206.07872 138.8
[M+Na]+ 228.06066 148.2
[M-H]- 204.06416 138.5
[M+NH4]+ 223.10526 157.8
[M+K]+ 244.03460 145.1
[M+H-H2O]+ 188.06870 130.3
[M+HCOO]- 250.06964 160.7
[M+CH3COO]- 264.08529 189.2
[M+Na-2H]- 226.04611 142.2
[M]+ 205.07089 136.0
[M]- 205.07199 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.