CID 22184052

344-48-9

Structural Information

Molecular Formula
C14H10F6N2O
SMILES
C1=CC(=C(C=C1N)C(F)(F)F)OC2=C(C=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C14H10F6N2O/c15-13(16,17)9-5-7(21)1-3-11(9)23-12-4-2-8(22)6-10(12)14(18,19)20/h1-6H,21-22H2
InChIKey
NKYXYJFTTIPZDE-UHFFFAOYSA-N
Compound name
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

987
Patents

336.06973 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07701 170.7
[M+Na]+ 359.05895 180.6
[M-H]- 335.06245 169.6
[M+NH4]+ 354.10355 183.6
[M+K]+ 375.03289 174.9
[M+H-H2O]+ 319.06699 158.6
[M+HCOO]- 381.06793 186.2
[M+CH3COO]- 395.08358 213.7
[M+Na-2H]- 357.04440 172.3
[M]+ 336.06918 161.0
[M]- 336.07028 161.0
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