CID 269733

1-chloro-4-methylphthalazine

Structural Information

Molecular Formula
C9H7ClN2
SMILES
CC1=NN=C(C2=CC=CC=C12)Cl
InChI
InChI=1S/C9H7ClN2/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3
InChIKey
IEDBAGGSOLFBBH-UHFFFAOYSA-N
Compound name
1-chloro-4-methylphthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

111
Patents

178.02977 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03705 132.8
[M+Na]+ 201.01899 144.4
[M-H]- 177.02249 134.9
[M+NH4]+ 196.06359 152.6
[M+K]+ 216.99293 139.6
[M+H-H2O]+ 161.02703 126.1
[M+HCOO]- 223.02797 149.9
[M+CH3COO]- 237.04362 146.7
[M+Na-2H]- 199.00444 142.4
[M]+ 178.02922 135.1
[M]- 178.03032 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe