CID 28972698

3-fluoro-4-[2-(trifluoromethyl)phenoxy]aniline

Structural Information

Molecular Formula
C13H9F4NO
SMILES
C1=CC=C(C(=C1)C(F)(F)F)OC2=C(C=C(C=C2)N)F
InChI
InChI=1S/C13H9F4NO/c14-10-7-8(18)5-6-12(10)19-11-4-2-1-3-9(11)13(15,16)17/h1-7H,18H2
InChIKey
HIIIVABZLPUXHX-UHFFFAOYSA-N
Compound name
3-fluoro-4-[2-(trifluoromethyl)phenoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.062 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06928 155.2
[M+Na]+ 294.05122 165.0
[M-H]- 270.05472 157.0
[M+NH4]+ 289.09582 171.2
[M+K]+ 310.02516 160.0
[M+H-H2O]+ 254.05926 144.8
[M+HCOO]- 316.06020 174.6
[M+CH3COO]- 330.07585 199.5
[M+Na-2H]- 292.03667 159.1
[M]+ 271.06145 149.7
[M]- 271.06255 149.7
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.