CID 13948098

(4-chlorophenyl)(1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
C1=CC(=CC=C1C(C2=CNN=C2)O)Cl
InChI
InChI=1S/C10H9ClN2O/c11-9-3-1-7(2-4-9)10(14)8-5-12-13-6-8/h1-6,10,14H,(H,12,13)
InChIKey
KQJIDWAEIXKITO-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(1H-pyrazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

208.04034 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 142.8
[M+Na]+ 231.02956 156.3
[M+NH4]+ 226.07416 150.9
[M+K]+ 247.00350 151.6
[M-H]- 207.03306 144.6
[M+Na-2H]- 229.01501 150.5
[M]+ 208.03979 145.4
[M]- 208.04089 145.4
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