CID 43346075

3-(3,4-difluorophenyl)propanamide

Structural Information

Molecular Formula
C9H9F2NO
SMILES
C1=CC(=C(C=C1CCC(=O)N)F)F
InChI
InChI=1S/C9H9F2NO/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(H2,12,13)
InChIKey
XZQRRQRBAHSJDP-UHFFFAOYSA-N
Compound name
3-(3,4-difluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.06522 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.072496 135.4
[M+Na]+ 208.054438 144.0
[M-H]- 184.057944 136.4
[M+NH4]+ 203.099043 155.0
[M+K]+ 224.028378 141.2
[M+H-H2O]+ 168.062480 128.0
[M+HCOO]- 230.063421 157.7
[M+CH3COO]- 244.079071 185.2
[M+Na-2H]- 206.039886 139.0
[M]+ 185.06467142 132.1
[M]- 185.06576858 132.1
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

patents stripe