CID 10936216

204918-22-9

Structural Information

Molecular Formula
C15H14ClNO5
SMILES
CC(C)(C(=O)OCC=C)OC(=O)C1=C(C=CC(=C1)N=C=O)Cl
InChI
InChI=1S/C15H14ClNO5/c1-4-7-21-14(20)15(2,3)22-13(19)11-8-10(17-9-18)5-6-12(11)16/h4-6,8H,1,7H2,2-3H3
InChIKey
PKFZJUHXBJIMRW-UHFFFAOYSA-N
Compound name
(2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro-5-isocyanatobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

323.05606 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.06334 169.6
[M+Na]+ 346.04528 180.0
[M+NH4]+ 341.08988 174.2
[M+K]+ 362.01922 175.4
[M-H]- 322.04878 168.8
[M+Na-2H]- 344.03073 173.3
[M]+ 323.05551 170.8
[M]- 323.05661 170.8
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