CID 204870

17072-88-7

Structural Information

Molecular Formula
C13H13ClN2O2
SMILES
COC1=NN(C(=O)C=C1)C(CCl)C2=CC=CC=C2
InChI
InChI=1S/C13H13ClN2O2/c1-18-12-7-8-13(17)16(15-12)11(9-14)10-5-3-2-4-6-10/h2-8,11H,9H2,1H3
InChIKey
VTNGEWLHLAEWNN-UHFFFAOYSA-N
Compound name
2-(2-chloro-1-phenylethyl)-6-methoxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.06656 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07384 155.2
[M+Na]+ 287.05578 164.7
[M-H]- 263.05928 159.3
[M+NH4]+ 282.10038 169.8
[M+K]+ 303.02972 159.9
[M+H-H2O]+ 247.06382 146.7
[M+HCOO]- 309.06476 172.1
[M+CH3COO]- 323.08041 194.5
[M+Na-2H]- 285.04123 160.8
[M]+ 264.06601 159.2
[M]- 264.06711 159.2
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.