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]+ 211.05203 142.9
[M+Na]+ 233.03397 150.9
[M-H]- 209.03747 145.2
[M+NH4]+ 228.07857 162.0
[M+K]+ 249.00791 146.4
[M+H-H2O]+ 193.04201 138.5
[M+HCOO]- 255.04295 159.7
[M+CH3COO]- 269.05860 183.0
[M+Na-2H]- 231.01942 146.1
[M]+ 210.04420 144.3
[M]- 210.04530 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.