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

117
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

literature stripe

Patent stripe

patents stripe