CID 90457476

1592296-18-8

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
C1=CC=C(C(=C1)CN2C=C(C=N2)O)Cl
InChI
InChI=1S/C10H9ClN2O/c11-10-4-2-1-3-8(10)6-13-7-9(14)5-12-13/h1-5,7,14H,6H2
InChIKey
VBUPEWSUEGHPBW-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)methyl]pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

208.04034 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.047616 141.8
[M+Na]+ 231.029558 152.2
[M-H]- 207.033064 144.9
[M+NH4]+ 226.074163 160.1
[M+K]+ 247.003498 147.0
[M+H-H2O]+ 191.037600 134.6
[M+HCOO]- 253.038541 159.7
[M+CH3COO]- 267.054191 155.0
[M+Na-2H]- 229.015006 146.9
[M]+ 208.03979142 143.5
[M]- 208.04088858 143.5
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