CID 2296132

Vu 0357121

Structural Information

Molecular Formula
C17H17F2NO2
SMILES
CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChIKey
AHCYOTLTLQTPSU-UHFFFAOYSA-N
Compound name
4-butoxy-N-(2,4-difluorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

0
Patents

305.12274 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13002 169.3
[M+Na]+ 328.11196 176.5
[M-H]- 304.11546 173.3
[M+NH4]+ 323.15656 183.9
[M+K]+ 344.08590 172.0
[M+H-H2O]+ 288.12000 159.3
[M+HCOO]- 350.12094 191.1
[M+CH3COO]- 364.13659 208.2
[M+Na-2H]- 326.09741 171.4
[M]+ 305.12219 169.1
[M]- 305.12329 169.1
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

No patent data available for this compound.