CID 6007134

Brn 2576946

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]+ 211.05203 143.8
[M+Na]+ 233.03397 156.5
[M+NH4]+ 228.07857 151.7
[M+K]+ 249.00791 150.1
[M-H]- 209.03747 144.8
[M+Na-2H]- 231.01942 149.5
[M]+ 210.04420 146.0
[M]- 210.04530 146.0
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.