CID 5388445

Nsc636342

Structural Information

Molecular Formula
C12H10ClNO2
SMILES
CC/C=C\1/C(=O)OC(=N1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClNO2/c1-2-3-10-12(15)16-11(14-10)8-4-6-9(13)7-5-8/h3-7H,2H2,1H3/b10-3-
InChIKey
KVCHIFCUABPSOQ-KMKOMSMNSA-N
Compound name
(4Z)-2-(4-chlorophenyl)-4-propylidene-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.04001 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.047286 149.8
[M+Na]+ 258.029228 160.5
[M-H]- 234.032734 156.3
[M+NH4]+ 253.073833 168.0
[M+K]+ 274.003168 156.3
[M+H-H2O]+ 218.037270 143.5
[M+HCOO]- 280.038211 168.1
[M+CH3COO]- 294.053861 187.8
[M+Na-2H]- 256.014676 153.5
[M]+ 235.03946142 153.2
[M]- 235.04055858 153.2
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.