CID 57691654

4-chloro-6-methoxy-1-methylphthalazine

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CC1=C2C=CC(=CC2=C(N=N1)Cl)OC
InChI
InChI=1S/C10H9ClN2O/c1-6-8-4-3-7(14-2)5-9(8)10(11)13-12-6/h3-5H,1-2H3
InChIKey
NIMAOIGTLZDTPS-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxy-1-methylphthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

208.04034 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.047616 140.6
[M+Na]+ 231.029558 152.6
[M-H]- 207.033064 143.0
[M+NH4]+ 226.074163 159.5
[M+K]+ 247.003498 148.2
[M+H-H2O]+ 191.037600 133.9
[M+HCOO]- 253.038541 157.6
[M+CH3COO]- 267.054191 154.4
[M+Na-2H]- 229.015006 149.0
[M]+ 208.03979142 145.2
[M]- 208.04088858 145.2
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

patents stripe