CID 43554622

1221725-70-7

Structural Information

Molecular Formula
C14H10F5NO
SMILES
C1=CC(=C(C=C1OC2=CC(=C(C=C2)F)F)C(F)(F)F)CN
InChI
InChI=1S/C14H10F5NO/c15-12-4-3-10(6-13(12)16)21-9-2-1-8(7-20)11(5-9)14(17,18)19/h1-6H,7,20H2
InChIKey
NWBDORDTENRHDP-UHFFFAOYSA-N
Compound name
[4-(3,4-difluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.06827 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07555 163.1
[M+Na]+ 326.05749 173.4
[M-H]- 302.06099 163.7
[M+NH4]+ 321.10209 178.0
[M+K]+ 342.03143 167.8
[M+H-H2O]+ 286.06553 151.7
[M+HCOO]- 348.06647 181.0
[M+CH3COO]- 362.08212 206.5
[M+Na-2H]- 324.04294 165.1
[M]+ 303.06772 157.1
[M]- 303.06882 157.1
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.