CID 21119285

Rerythyvxrlzme-uhfffaoysa-n

Structural Information

Molecular Formula
C12H7BrClNO3
SMILES
C=COC(=O)OC1=C(C=C(C2=C1N=CC=C2)Cl)Br
InChI
InChI=1S/C12H7BrClNO3/c1-2-17-12(16)18-11-8(13)6-9(14)7-4-3-5-15-10(7)11/h2-6H,1H2
InChIKey
RERYTHYVXRLZME-UHFFFAOYSA-N
Compound name
(7-bromo-5-chloroquinolin-8-yl) ethenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.92978 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.937056 156.7
[M+Na]+ 349.918998 170.9
[M-H]- 325.922504 163.1
[M+NH4]+ 344.963603 175.7
[M+K]+ 365.892938 158.2
[M+H-H2O]+ 309.927040 156.9
[M+HCOO]- 371.927981 172.2
[M+CH3COO]- 385.943631 200.8
[M+Na-2H]- 347.904446 164.1
[M]+ 326.92923142 180.7
[M]- 326.93032858 180.7
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.