CID 19995985

2563929-46-2

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
C1=CC(=NC(=C1)Cl)/C=C/C(=O)O
InChI
InChI=1S/C8H6ClNO2/c9-7-3-1-2-6(10-7)4-5-8(11)12/h1-5H,(H,11,12)/b5-4+
InChIKey
MZXROTQDGXJFIA-SNAWJCMRSA-N
Compound name
(E)-3-(6-chloropyridin-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.00871 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01599 134.5
[M+Na]+ 205.99793 147.9
[M+NH4]+ 201.04253 142.2
[M+K]+ 221.97187 141.6
[M-H]- 182.00143 134.9
[M+Na-2H]- 203.98338 140.9
[M]+ 183.00816 136.6
[M]- 183.00926 136.6
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.