CID 5374477

(2e)-3-(dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C11H12FNO
SMILES
CN(C)/C=C/C(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C11H12FNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3-8H,1-2H3/b8-7+
InChIKey
GTJNUCRUOWBWEW-BQYQJAHWSA-N
Compound name
(E)-3-(dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

119
Patents

193.09029 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09757 142.8
[M+Na]+ 216.07951 153.9
[M+NH4]+ 211.12411 150.3
[M+K]+ 232.05345 147.6
[M-H]- 192.08301 143.9
[M+Na-2H]- 214.06496 148.8
[M]+ 193.08974 144.4
[M]- 193.09084 144.4
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

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