CID 109900

68239-27-0

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
C1COCCN1C2=C(C(=O)C2=O)Cl
InChI
InChI=1S/C8H8ClNO3/c9-5-6(8(12)7(5)11)10-1-3-13-4-2-10/h1-4H2
InChIKey
MRSXFXHLKHAXQI-UHFFFAOYSA-N
Compound name
3-chloro-4-morpholin-4-ylcyclobut-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

201.01927 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.026546 127.8
[M+Na]+ 224.008488 137.0
[M-H]- 200.011994 134.0
[M+NH4]+ 219.053093 139.2
[M+K]+ 239.982428 138.1
[M+H-H2O]+ 184.016530 117.2
[M+HCOO]- 246.017471 144.0
[M+CH3COO]- 260.033121 184.6
[M+Na-2H]- 221.993936 134.2
[M]+ 201.01872142 138.8
[M]- 201.01981858 138.8
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

No patent data available for this compound.