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 133.3
[M+Na]+ 205.99793 142.8
[M-H]- 182.00143 134.5
[M+NH4]+ 201.04253 152.2
[M+K]+ 221.97187 138.5
[M+H-H2O]+ 166.00597 128.2
[M+HCOO]- 228.00691 150.7
[M+CH3COO]- 242.02256 175.7
[M+Na-2H]- 203.98338 139.3
[M]+ 183.00816 134.6
[M]- 183.00926 134.6
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.