CID 4189535

2-(4-methylphenoxy)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C14H12F3NO
SMILES
CC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C14H12F3NO/c1-9-2-5-11(6-3-9)19-13-7-4-10(8-12(13)18)14(15,16)17/h2-8H,18H2,1H3
InChIKey
FFVRPABHQMXFCC-UHFFFAOYSA-N
Compound name
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

267.0871 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09438 161.3
[M+Na]+ 290.07632 172.1
[M+NH4]+ 285.12092 167.4
[M+K]+ 306.05026 165.7
[M-H]- 266.07982 161.4
[M+Na-2H]- 288.06177 167.7
[M]+ 267.08655 162.7
[M]- 267.08765 162.7
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

patents stripe