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]+ 194.097566 140.4
[M+Na]+ 216.079508 147.7
[M-H]- 192.083014 144.2
[M+NH4]+ 211.124113 160.4
[M+K]+ 232.053448 146.0
[M+H-H2O]+ 176.087550 133.3
[M+HCOO]- 238.088491 164.5
[M+CH3COO]- 252.104141 190.0
[M+Na-2H]- 214.064956 144.6
[M]+ 193.08974142 140.2
[M]- 193.09083858 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