CID 43148720

1152561-57-3

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 155.3
[M+Na]+ 291.07156 163.2
[M-H]- 267.07506 158.0
[M+NH4]+ 286.11616 170.9
[M+K]+ 307.04550 158.7
[M+H-H2O]+ 251.07960 145.3
[M+HCOO]- 313.08054 176.9
[M+CH3COO]- 327.09619 200.5
[M+Na-2H]- 289.05701 161.1
[M]+ 268.08179 149.9
[M]- 268.08289 149.9
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

No patent data available for this compound.