CID 12324256

3-(7-chloroquinolin-2-yl)prop-2-enoic acid

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 147.1
[M+Na]+ 256.01357 162.1
[M+NH4]+ 251.05817 155.5
[M+K]+ 271.98751 154.5
[M-H]- 232.01707 148.7
[M+Na-2H]- 253.99902 153.8
[M]+ 233.02380 149.9
[M]- 233.02490 149.9
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.