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]+ 265.073836 155.2
[M+Na]+ 287.055778 164.7
[M-H]- 263.059284 159.3
[M+NH4]+ 282.100383 169.8
[M+K]+ 303.029718 159.9
[M+H-H2O]+ 247.063820 146.7
[M+HCOO]- 309.064761 172.1
[M+CH3COO]- 323.080411 194.5
[M+Na-2H]- 285.041226 160.8
[M]+ 264.06601142 159.2
[M]- 264.06710858 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.