CID 5374477

138716-20-8

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

104
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 140.4
[M+Na]+ 216.07951 147.7
[M-H]- 192.08301 144.2
[M+NH4]+ 211.12411 160.4
[M+K]+ 232.05345 146.0
[M+H-H2O]+ 176.08755 133.3
[M+HCOO]- 238.08849 164.5
[M+CH3COO]- 252.10414 190.0
[M+Na-2H]- 214.06496 144.6
[M]+ 193.08974 140.2
[M]- 193.09084 140.2
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.