CID 644100

Sea0400

Structural Information

Molecular Formula
C21H19F2NO3
SMILES
CCOC1=CC(=C(C=C1)OC2=CC=C(C=C2)OCC3=C(C=CC(=C3)F)F)N
InChI
InChI=1S/C21H19F2NO3/c1-2-25-18-8-10-21(20(24)12-18)27-17-6-4-16(5-7-17)26-13-14-11-15(22)3-9-19(14)23/h3-12H,2,13,24H2,1H3
InChIKey
YSUBLPUJDOWYDP-UHFFFAOYSA-N
Compound name
2-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-5-ethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

129
References

130
Patents

371.1333 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14058 190.1
[M+Na]+ 394.12252 203.8
[M+NH4]+ 389.16712 196.4
[M+K]+ 410.09646 195.2
[M-H]- 370.12602 194.2
[M+Na-2H]- 392.10797 198.4
[M]+ 371.13275 193.2
[M]- 371.13385 193.2
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