CID 55257261

2089277-21-2

Structural Information

Molecular Formula
C13H10ClF2NO
SMILES
C1=CC(=C(C=C1OC2=C(C=C(C=C2)F)CN)Cl)F
InChI
InChI=1S/C13H10ClF2NO/c14-11-6-10(2-3-12(11)16)18-13-4-1-9(15)5-8(13)7-17/h1-6H,7,17H2
InChIKey
GRWLSDLGODCXPL-UHFFFAOYSA-N
Compound name
[2-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0419 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04918 154.6
[M+Na]+ 292.03112 165.5
[M-H]- 268.03462 158.9
[M+NH4]+ 287.07572 171.9
[M+K]+ 308.00506 159.2
[M+H-H2O]+ 252.03916 146.6
[M+HCOO]- 314.04010 173.2
[M+CH3COO]- 328.05575 199.0
[M+Na-2H]- 290.01657 157.9
[M]+ 269.04135 154.8
[M]- 269.04245 154.8
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.