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

59
Patents

172.04034 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.047616 133.4
[M+Na]+ 195.029558 143.4
[M-H]- 171.033064 133.4
[M+NH4]+ 190.074163 151.6
[M+K]+ 211.003498 139.8
[M+H-H2O]+ 155.037600 127.8
[M+HCOO]- 217.038541 148.5
[M+CH3COO]- 231.054191 175.4
[M+Na-2H]- 193.015006 141.7
[M]+ 172.03979142 134.8
[M]- 172.04088858 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