CID 146155657

2416234-36-9

Structural Information

Molecular Formula
C13H10F3NO
SMILES
COC1=CC(=C(C=C1)C2=CC(=C(C(=C2)F)F)F)N
InChI
InChI=1S/C13H10F3NO/c1-18-8-2-3-9(12(17)6-8)7-4-10(14)13(16)11(15)5-7/h2-6H,17H2,1H3
InChIKey
ONIGUEZPRVXORC-UHFFFAOYSA-N
Compound name
5-methoxy-2-(3,4,5-trifluorophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.07144 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07872 157.2
[M+Na]+ 276.06066 169.1
[M+NH4]+ 271.10526 163.6
[M+K]+ 292.03460 162.1
[M-H]- 252.06416 157.9
[M+Na-2H]- 274.04611 163.4
[M]+ 253.07089 158.9
[M]- 253.07199 158.9
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.