CID 6007134

3-butenoic acid, 4-(p-chlorophenyl)-3-methyl-

Structural Information

Molecular Formula
C11H11ClO2
SMILES
C/C(=C\C1=CC=C(C=C1)Cl)/CC(=O)O
InChI
InChI=1S/C11H11ClO2/c1-8(7-11(13)14)6-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H,13,14)/b8-6+
InChIKey
OSMVNAOFLIHUOS-SOFGYWHQSA-N
Compound name
(E)-4-(4-chlorophenyl)-3-methylbut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

210.04475 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.052026 142.9
[M+Na]+ 233.033968 150.9
[M-H]- 209.037474 145.2
[M+NH4]+ 228.078573 162.0
[M+K]+ 249.007908 146.4
[M+H-H2O]+ 193.042010 138.5
[M+HCOO]- 255.042951 159.7
[M+CH3COO]- 269.058601 183.0
[M+Na-2H]- 231.019416 146.1
[M]+ 210.04420142 144.3
[M]- 210.04529858 144.3
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

No patent data available for this compound.