CID 120523

1-butyl-5-chloro-1h-indazol-3-ol

Structural Information

Molecular Formula
C11H13ClN2O
SMILES
CCCCN1C2=C(C=C(C=C2)Cl)C(=O)N1
InChI
InChI=1S/C11H13ClN2O/c1-2-3-6-14-10-5-4-8(12)7-9(10)11(15)13-14/h4-5,7H,2-3,6H2,1H3,(H,13,15)
InChIKey
GDKTYERFWWLIAA-UHFFFAOYSA-N
Compound name
1-butyl-5-chloro-2H-indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07164 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07892 146.0
[M+Na]+ 247.06086 161.0
[M+NH4]+ 242.10546 154.4
[M+K]+ 263.03480 154.9
[M-H]- 223.06436 147.0
[M+Na-2H]- 245.04631 152.0
[M]+ 224.07109 148.7
[M]- 224.07219 148.7
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