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
1
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]+ 202.02655 127.8
[M+Na]+ 224.00849 137.0
[M-H]- 200.01199 134.0
[M+NH4]+ 219.05309 139.2
[M+K]+ 239.98243 138.1
[M+H-H2O]+ 184.01653 117.2
[M+HCOO]- 246.01747 144.0
[M+CH3COO]- 260.03312 184.6
[M+Na-2H]- 221.99394 134.2
[M]+ 201.01872 138.8
[M]- 201.01982 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.