CID 19995970

2045276-63-7

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
C1=CN=C(C=C1/C=C/C(=O)O)Cl
InChI
InChI=1S/C8H6ClNO2/c9-7-5-6(3-4-10-7)1-2-8(11)12/h1-5H,(H,11,12)/b2-1+
InChIKey
VWOAJEKVHQVOOQ-OWOJBTEDSA-N
Compound name
(E)-3-(2-chloro-4-pyridinyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

183.00871 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.015986 133.3
[M+Na]+ 205.997928 142.8
[M-H]- 182.001434 134.5
[M+NH4]+ 201.042533 152.2
[M+K]+ 221.971868 138.5
[M+H-H2O]+ 166.005970 128.2
[M+HCOO]- 228.006911 150.7
[M+CH3COO]- 242.022561 175.7
[M+Na-2H]- 203.983376 139.3
[M]+ 183.00816142 134.6
[M]- 183.00925858 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

patents stripe