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

1
Patents

185.06522 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07250 135.4
[M+Na]+ 208.05444 144.0
[M-H]- 184.05794 136.4
[M+NH4]+ 203.09904 155.0
[M+K]+ 224.02838 141.2
[M+H-H2O]+ 168.06248 128.0
[M+HCOO]- 230.06342 157.7
[M+CH3COO]- 244.07907 185.2
[M+Na-2H]- 206.03989 139.0
[M]+ 185.06467 132.1
[M]- 185.06577 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