CID 958751

100891-10-9

Structural Information

Molecular Formula
C10H9FO2
SMILES
COC(=O)/C=C/C1=CC=C(C=C1)F
InChI
InChI=1S/C10H9FO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
InChIKey
HSNCAEKOZRUMTB-QPJJXVBHSA-N
Compound name
methyl (E)-3-(4-fluorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

140
Patents

180.05865 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.065926 134.8
[M+Na]+ 203.047868 143.3
[M-H]- 179.051374 137.4
[M+NH4]+ 198.092473 155.1
[M+K]+ 219.021808 141.1
[M+H-H2O]+ 163.055910 128.4
[M+HCOO]- 225.056851 158.0
[M+CH3COO]- 239.072501 179.9
[M+Na-2H]- 201.033316 140.1
[M]+ 180.05810142 135.1
[M]- 180.05919858 135.1
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