CID 235114

3-(4-chlorophenyl)-2-methylprop-2-enoic acid

Structural Information

Molecular Formula
C10H9ClO2
SMILES
CC(=CC1=CC=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C10H9ClO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKey
NOJHKAVGUZWMPV-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

248
Patents

196.02911 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.036386 138.1
[M+Na]+ 219.018328 146.6
[M-H]- 195.021834 140.7
[M+NH4]+ 214.062933 157.8
[M+K]+ 234.992268 142.3
[M+H-H2O]+ 179.026370 133.9
[M+HCOO]- 241.027311 155.3
[M+CH3COO]- 255.042961 180.0
[M+Na-2H]- 217.003776 141.9
[M]+ 196.02856142 139.1
[M]- 196.02965858 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe