CID 6249301

(2e)-3-(4-fluoro-3-methylphenyl)prop-2-enoic acid

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]+ 181.065926 134.5
[M+Na]+ 203.047868 143.4
[M-H]- 179.051374 136.0
[M+NH4]+ 198.092473 154.3
[M+K]+ 219.021808 140.3
[M+H-H2O]+ 163.055910 128.6
[M+HCOO]- 225.056851 156.1
[M+CH3COO]- 239.072501 179.1
[M+Na-2H]- 201.033316 138.6
[M]+ 180.05810142 133.3
[M]- 180.05919858 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