CID 3074733

1-propanone, 3-(dimethylamino)-1-(2-fluoro-4,5-dimethoxyphenyl)-, hydrochloride

Structural Information

Molecular Formula
C13H18FNO3
SMILES
CN(C)CCC(=O)C1=CC(=C(C=C1F)OC)OC
InChI
InChI=1S/C13H18FNO3/c1-15(2)6-5-11(16)9-7-12(17-3)13(18-4)8-10(9)14/h7-8H,5-6H2,1-4H3
InChIKey
JVFNPFVFRFKKTD-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12708 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13436 156.0
[M+Na]+ 278.11630 163.7
[M-H]- 254.11980 160.0
[M+NH4]+ 273.16090 173.9
[M+K]+ 294.09024 163.3
[M+H-H2O]+ 238.12434 148.3
[M+HCOO]- 300.12528 179.6
[M+CH3COO]- 314.14093 204.0
[M+Na-2H]- 276.10175 157.7
[M]+ 255.12653 160.9
[M]- 255.12763 160.9
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.