CID 2296132

433967-28-3

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

7
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

patents stripe