CID 4189535

16824-50-3

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

56
Patents

267.0871 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.094376 156.8
[M+Na]+ 290.076318 166.1
[M-H]- 266.079824 159.9
[M+NH4]+ 285.120923 173.2
[M+K]+ 306.050258 161.4
[M+H-H2O]+ 250.084360 147.3
[M+HCOO]- 312.085301 177.0
[M+CH3COO]- 326.100951 199.6
[M+Na-2H]- 288.061766 160.9
[M]+ 267.08655142 152.9
[M]- 267.08764858 152.9
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

patents stripe