CID 24698942

(4-methoxyphenyl)[4-(trifluoromethyl)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula
C15H14F3NO
SMILES
COC1=CC=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C15H14F3NO/c1-20-13-8-4-11(5-9-13)14(19)10-2-6-12(7-3-10)15(16,17)18/h2-9,14H,19H2,1H3
InChIKey
YQCQSGAABUDZAD-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.10275 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11003 161.5
[M+Na]+ 304.09197 169.1
[M-H]- 280.09547 164.0
[M+NH4]+ 299.13657 176.8
[M+K]+ 320.06591 164.6
[M+H-H2O]+ 264.10001 151.6
[M+HCOO]- 326.10095 180.3
[M+CH3COO]- 340.11660 202.3
[M+Na-2H]- 302.07742 164.5
[M]+ 281.10220 156.8
[M]- 281.10330 156.8
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.