CID 12324256

59394-19-3

Structural Information

Molecular Formula
C12H8ClNO2
SMILES
C1=CC(=CC2=C1C=CC(=N2)/C=C/C(=O)O)Cl
InChI
InChI=1S/C12H8ClNO2/c13-9-3-1-8-2-4-10(5-6-12(15)16)14-11(8)7-9/h1-7H,(H,15,16)/b6-5+
InChIKey
DTGDXORPULFIOX-AATRIKPKSA-N
Compound name
(E)-3-(7-chloroquinolin-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.02435 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.031626 146.4
[M+Na]+ 256.013568 156.5
[M-H]- 232.017074 148.5
[M+NH4]+ 251.058173 164.4
[M+K]+ 271.987508 150.7
[M+H-H2O]+ 216.021610 140.6
[M+HCOO]- 278.022551 162.3
[M+CH3COO]- 292.038201 186.5
[M+Na-2H]- 253.999016 152.9
[M]+ 233.02380142 148.5
[M]- 233.02489858 148.5
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.