CID 6249301

913699-82-8

Structural Information

Molecular Formula
C10H9FO2
SMILES
CC1=C(C=CC(=C1)/C=C/C(=O)O)F
InChI
InChI=1S/C10H9FO2/c1-7-6-8(2-4-9(7)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3+
InChIKey
JYOBWKXNZLNLRY-HWKANZROSA-N
Compound name
(E)-3-(4-fluoro-3-methylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

180.05865 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06593 134.5
[M+Na]+ 203.04787 143.4
[M-H]- 179.05137 136.0
[M+NH4]+ 198.09247 154.3
[M+K]+ 219.02181 140.3
[M+H-H2O]+ 163.05591 128.6
[M+HCOO]- 225.05685 156.1
[M+CH3COO]- 239.07250 179.1
[M+Na-2H]- 201.03332 138.6
[M]+ 180.05810 133.3
[M]- 180.05920 133.3
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

patents stripe