CID 220154

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

Structural Information

Molecular Formula
C10H6ClNO2
SMILES
C1=CC(=CC=C1C=C(C#N)C(=O)O)Cl
InChI
InChI=1S/C10H6ClNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)
InChIKey
MXCRRKYUQNHWLJ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-cyanoprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

86
Patents

207.00871 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01599 141.2
[M+Na]+ 229.99793 153.2
[M+NH4]+ 225.04253 145.5
[M+K]+ 245.97187 144.4
[M-H]- 206.00143 134.9
[M+Na-2H]- 227.98338 144.5
[M]+ 207.00816 140.4
[M]- 207.00926 140.4
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

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