CID 107900898

91193-19-0

Structural Information

Molecular Formula
C11H11ClO2
SMILES
C1=CC=C(C=C1)C(C/C=C/Cl)C(=O)O
InChI
InChI=1S/C11H11ClO2/c12-8-4-7-10(11(13)14)9-5-2-1-3-6-9/h1-6,8,10H,7H2,(H,13,14)/b8-4+
InChIKey
AUXBEHSTUAFINH-XBXARRHUSA-N
Compound name
(E)-5-chloro-2-phenylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04475 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.052026 143.8
[M+Na]+ 233.033968 150.9
[M-H]- 209.037474 145.7
[M+NH4]+ 228.078573 162.6
[M+K]+ 249.007908 146.3
[M+H-H2O]+ 193.042010 139.1
[M+HCOO]- 255.042951 160.6
[M+CH3COO]- 269.058601 181.8
[M+Na-2H]- 231.019416 147.6
[M]+ 210.04420142 144.8
[M]- 210.04529858 144.8
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

No patent data available for this compound.