CID 5314314

Methyl 4-chlorocinnamate

Structural Information

Molecular Formula
C10H9ClO2
SMILES
COC(=O)/C=C/C1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H9ClO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
InChIKey
IIBXQGYKZKOORG-QPJJXVBHSA-N
Compound name
methyl (E)-3-(4-chlorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

196.02911 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03639 138.6
[M+Na]+ 219.01833 152.5
[M+NH4]+ 214.06293 147.3
[M+K]+ 234.99227 145.2
[M-H]- 195.02183 140.4
[M+Na-2H]- 217.00378 145.7
[M]+ 196.02856 141.4
[M]- 196.02966 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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