CID 3829951

763119-57-9

Structural Information

Molecular Formula
C17H17ClFNO3
SMILES
COC1=C(C=C(C=C1)C(=O)CCNC2=CC(=C(C=C2)F)Cl)OC
InChI
InChI=1S/C17H17ClFNO3/c1-22-16-6-3-11(9-17(16)23-2)15(21)7-8-20-12-4-5-14(19)13(18)10-12/h3-6,9-10,20H,7-8H2,1-2H3
InChIKey
IVIHVSFMSLUDAS-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-fluoroanilino)-1-(3,4-dimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0881 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09538 174.7
[M+Na]+ 360.07732 183.5
[M-H]- 336.08082 180.4
[M+NH4]+ 355.12192 189.3
[M+K]+ 376.05126 178.4
[M+H-H2O]+ 320.08536 166.5
[M+HCOO]- 382.08630 193.3
[M+CH3COO]- 396.10195 213.1
[M+Na-2H]- 358.06277 176.5
[M]+ 337.08755 180.0
[M]- 337.08865 180.0
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.