CID 34443

Seclazone

Structural Information

Molecular Formula
C10H8ClNO3
SMILES
C1CON2C1OC3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C10H8ClNO3/c11-6-1-2-8-7(5-6)10(13)12-9(15-8)3-4-14-12/h1-2,5,9H,3-4H2
InChIKey
XWXVKXXKKLBDDJ-UHFFFAOYSA-N
Compound name
7-chloro-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3048
Patents

225.01927 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.026546 143.5
[M+Na]+ 248.008488 154.1
[M-H]- 224.011994 148.9
[M+NH4]+ 243.053093 162.7
[M+K]+ 263.982428 152.1
[M+H-H2O]+ 208.016530 138.3
[M+HCOO]- 270.017471 156.8
[M+CH3COO]- 284.033121 157.1
[M+Na-2H]- 245.993936 150.4
[M]+ 225.01872142 146.3
[M]- 225.01981858 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe