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]+ 234.03163 146.4
[M+Na]+ 256.01357 156.5
[M-H]- 232.01707 148.5
[M+NH4]+ 251.05817 164.4
[M+K]+ 271.98751 150.7
[M+H-H2O]+ 216.02161 140.6
[M+HCOO]- 278.02255 162.3
[M+CH3COO]- 292.03820 186.5
[M+Na-2H]- 253.99902 152.9
[M]+ 233.02380 148.5
[M]- 233.02490 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.