CID 3033181

60548-38-1

Structural Information

Molecular Formula
C14H14FNO
SMILES
C/C(=C(/C)\C(=O)NCC#C)/C1=CC=C(C=C1)F
InChI
InChI=1S/C14H14FNO/c1-4-9-16-14(17)11(3)10(2)12-5-7-13(15)8-6-12/h1,5-8H,9H2,2-3H3,(H,16,17)/b11-10+
InChIKey
CJRRJXTZRXMUPC-ZHACJKMWSA-N
Compound name
(E)-3-(4-fluorophenyl)-2-methyl-N-prop-2-ynylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.10594 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11322 155.9
[M+Na]+ 254.09516 163.9
[M-H]- 230.09866 156.3
[M+NH4]+ 249.13976 171.3
[M+K]+ 270.06910 159.1
[M+H-H2O]+ 214.10320 142.7
[M+HCOO]- 276.10414 170.8
[M+CH3COO]- 290.11979 201.6
[M+Na-2H]- 252.08061 155.7
[M]+ 231.10539 148.0
[M]- 231.10649 148.0
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

No patent data available for this compound.