CID 71756042

1-[2-(dimethylamino)-4-fluorophenyl]ethan-1-one

Structural Information

Molecular Formula
C10H12FNO
SMILES
CC(=O)C1=C(C=C(C=C1)F)N(C)C
InChI
InChI=1S/C10H12FNO/c1-7(13)9-5-4-8(11)6-10(9)12(2)3/h4-6H,1-3H3
InChIKey
ZPSFNOWYGDIUBE-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)-4-fluorophenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09029 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09757 136.1
[M+Na]+ 204.07951 144.4
[M-H]- 180.08301 140.4
[M+NH4]+ 199.12411 156.9
[M+K]+ 220.05345 143.6
[M+H-H2O]+ 164.08755 129.3
[M+HCOO]- 226.08849 160.3
[M+CH3COO]- 240.10414 189.7
[M+Na-2H]- 202.06496 140.2
[M]+ 181.08974 136.6
[M]- 181.09084 136.6
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.