CID 477135

6-chloro-4-(3-hydroxyprop-1-ynyl)-1,4-dihydro-3,1-benzoxazin-2-one

Structural Information

Molecular Formula
C11H8ClNO3
SMILES
C1=CC2=C(C=C1Cl)C(OC(=O)N2)C#CCO
InChI
InChI=1S/C11H8ClNO3/c12-7-3-4-9-8(6-7)10(2-1-5-14)16-11(15)13-9/h3-4,6,10,14H,5H2,(H,13,15)
InChIKey
JCSXMHWCXDYAHC-UHFFFAOYSA-N
Compound name
6-chloro-4-(3-hydroxyprop-1-ynyl)-1,4-dihydro-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.01927 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02655 147.5
[M+Na]+ 260.00849 159.4
[M-H]- 236.01199 147.1
[M+NH4]+ 255.05309 161.7
[M+K]+ 275.98243 152.5
[M+H-H2O]+ 220.01653 136.3
[M+HCOO]- 282.01747 154.9
[M+CH3COO]- 296.03312 190.8
[M+Na-2H]- 257.99394 152.3
[M]+ 237.01872 142.1
[M]- 237.01982 142.1
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.