CID 357387

Butyl (6,8-dichloro-2-oxo-2h-chromen-3-yl)carbonylcarbamate

Structural Information

Molecular Formula
C15H13Cl2NO5
SMILES
CCCCOC(=O)NC(=O)C1=CC2=CC(=CC(=C2OC1=O)Cl)Cl
InChI
InChI=1S/C15H13Cl2NO5/c1-2-3-4-22-15(21)18-13(19)10-6-8-5-9(16)7-11(17)12(8)23-14(10)20/h5-7H,2-4H2,1H3,(H,18,19,21)
InChIKey
RUUBLZGOHNJKER-UHFFFAOYSA-N
Compound name
butyl N-(6,8-dichloro-2-oxochromene-3-carbonyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

357.0171 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.02438 174.0
[M+Na]+ 380.00632 184.3
[M-H]- 356.00982 179.4
[M+NH4]+ 375.05092 188.4
[M+K]+ 395.98026 180.6
[M+H-H2O]+ 340.01436 169.1
[M+HCOO]- 402.01530 186.7
[M+CH3COO]- 416.03095 212.6
[M+Na-2H]- 377.99177 177.5
[M]+ 357.01655 183.6
[M]- 357.01765 183.6
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