CID 65645167

1-chloro-4-cyclopropylphthalazine

Structural Information

Molecular Formula
C11H9ClN2
SMILES
C1CC1C2=NN=C(C3=CC=CC=C32)Cl
InChI
InChI=1S/C11H9ClN2/c12-11-9-4-2-1-3-8(9)10(13-14-11)7-5-6-7/h1-4,7H,5-6H2
InChIKey
HAGRNXPVMBSKTK-UHFFFAOYSA-N
Compound name
1-chloro-4-cyclopropylphthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.04543 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05271 145.7
[M+Na]+ 227.03465 157.8
[M-H]- 203.03815 151.0
[M+NH4]+ 222.07925 159.2
[M+K]+ 243.00859 151.8
[M+H-H2O]+ 187.04269 137.6
[M+HCOO]- 249.04363 162.8
[M+CH3COO]- 263.05928 158.3
[M+Na-2H]- 225.02010 153.7
[M]+ 204.04488 149.2
[M]- 204.04598 149.2
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.