CID 43148720

1-n-[4-(trifluoromethoxy)phenyl]benzene-1,4-diamine

Structural Information

Molecular Formula
C13H11F3N2O
SMILES
C1=CC(=CC=C1N)NC2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C13H11F3N2O/c14-13(15,16)19-12-7-5-11(6-8-12)18-10-3-1-9(17)2-4-10/h1-8,18H,17H2
InChIKey
POWBCJNWNHXWLC-UHFFFAOYSA-N
Compound name
4-N-[4-(trifluoromethoxy)phenyl]benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08234 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08962 157.6
[M+Na]+ 291.07156 167.1
[M+NH4]+ 286.11616 163.4
[M+K]+ 307.04550 161.3
[M-H]- 267.07506 157.9
[M+Na-2H]- 289.05701 164.4
[M]+ 268.08179 158.8
[M]- 268.08289 158.8
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.