CID 477136

6-chloro-4-cyclopropyl-4-propyl-1h-3,1-benzoxazin-2-one

Structural Information

Molecular Formula
C14H16ClNO2
SMILES
CCCC1(C2=C(C=CC(=C2)Cl)NC(=O)O1)C3CC3
InChI
InChI=1S/C14H16ClNO2/c1-2-7-14(9-3-4-9)11-8-10(15)5-6-12(11)16-13(17)18-14/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)
InChIKey
UMFGRMGHYAXXRO-UHFFFAOYSA-N
Compound name
6-chloro-4-cyclopropyl-4-propyl-1H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.08694 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09422 159.6
[M+Na]+ 288.07616 170.1
[M-H]- 264.07966 165.5
[M+NH4]+ 283.12076 172.2
[M+K]+ 304.05010 165.6
[M+H-H2O]+ 248.08420 153.2
[M+HCOO]- 310.08514 171.8
[M+CH3COO]- 324.10079 170.9
[M+Na-2H]- 286.06161 165.2
[M]+ 265.08639 163.2
[M]- 265.08749 163.2
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.