CID 3838006

763116-77-4

Structural Information

Molecular Formula
C17H17F2NO3
SMILES
COC1=C(C=C(C=C1)C(=O)CCNC2=C(C=C(C=C2)F)F)OC
InChI
InChI=1S/C17H17F2NO3/c1-22-16-6-3-11(9-17(16)23-2)15(21)7-8-20-14-5-4-12(18)10-13(14)19/h3-6,9-10,20H,7-8H2,1-2H3
InChIKey
AYXNMLDPRNTDCB-UHFFFAOYSA-N
Compound name
3-(2,4-difluoroanilino)-1-(3,4-dimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.11765 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12493 172.0
[M+Na]+ 344.10687 179.9
[M-H]- 320.11037 176.4
[M+NH4]+ 339.15147 186.1
[M+K]+ 360.08081 176.1
[M+H-H2O]+ 304.11491 161.9
[M+HCOO]- 366.11585 193.9
[M+CH3COO]- 380.13150 212.2
[M+Na-2H]- 342.09232 173.4
[M]+ 321.11710 173.7
[M]- 321.11820 173.7
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.