CID 80753226

3-fluoro-5-(4-fluorophenoxy)aniline

Structural Information

Molecular Formula
C12H9F2NO
SMILES
C1=CC(=CC=C1OC2=CC(=CC(=C2)N)F)F
InChI
InChI=1S/C12H9F2NO/c13-8-1-3-11(4-2-8)16-12-6-9(14)5-10(15)7-12/h1-7H,15H2
InChIKey
QRGIUJRIZFBKRW-UHFFFAOYSA-N
Compound name
3-fluoro-5-(4-fluorophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

221.06522 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07250 143.8
[M+Na]+ 244.05444 153.4
[M-H]- 220.05794 148.3
[M+NH4]+ 239.09904 161.9
[M+K]+ 260.02838 149.2
[M+H-H2O]+ 204.06248 135.1
[M+HCOO]- 266.06342 167.4
[M+CH3COO]- 280.07907 191.1
[M+Na-2H]- 242.03989 148.9
[M]+ 221.06467 140.9
[M]- 221.06577 140.9
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

patents stripe