CID 619960

3-trifluoromethyl-4'-methoxydiphenylamine

Structural Information

Molecular Formula
C14H12F3NO
SMILES
COC1=CC=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C14H12F3NO/c1-19-13-7-5-11(6-8-13)18-12-4-2-3-10(9-12)14(15,16)17/h2-9,18H,1H3
InChIKey
VODIERGLAGAWQU-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

267.0871 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09438 156.2
[M+Na]+ 290.07632 164.5
[M-H]- 266.07982 159.3
[M+NH4]+ 285.12092 172.4
[M+K]+ 306.05026 160.1
[M+H-H2O]+ 250.08436 146.3
[M+HCOO]- 312.08530 177.0
[M+CH3COO]- 326.10095 199.1
[M+Na-2H]- 288.06177 162.0
[M]+ 267.08655 152.8
[M]- 267.08765 152.8
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

patents stripe