CID 59526161

2-(6-chloropyridazin-3-yl)propan-2-ol

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
CC(C)(C1=NN=C(C=C1)Cl)O
InChI
InChI=1S/C7H9ClN2O/c1-7(2,11)5-3-4-6(8)10-9-5/h3-4,11H,1-2H3
InChIKey
XIYLFAZRGGRFKD-UHFFFAOYSA-N
Compound name
2-(6-chloropyridazin-3-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

172.04034 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04762 133.4
[M+Na]+ 195.02956 143.4
[M-H]- 171.03306 133.4
[M+NH4]+ 190.07416 151.6
[M+K]+ 211.00350 139.8
[M+H-H2O]+ 155.03760 127.8
[M+HCOO]- 217.03854 148.5
[M+CH3COO]- 231.05419 175.4
[M+Na-2H]- 193.01501 141.7
[M]+ 172.03979 134.8
[M]- 172.04089 134.8
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