CID 3764304

618441-95-5

Structural Information

Molecular Formula
C16H10Cl3FN2O
SMILES
C1=CC=C(C(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3Cl)Cl)F)CO)Cl
InChI
InChI=1S/C16H10Cl3FN2O/c17-11-3-1-2-4-15(11)22-7-9(8-23)16(21-22)10-5-14(20)13(19)6-12(10)18/h1-7,23H,8H2
InChIKey
YPSTWVWHNPJHGG-UHFFFAOYSA-N
Compound name
[1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.98428 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.99156 177.6
[M+Na]+ 392.97350 190.2
[M-H]- 368.97700 181.0
[M+NH4]+ 388.01810 190.2
[M+K]+ 408.94744 181.2
[M+H-H2O]+ 352.98154 168.6
[M+HCOO]- 414.98248 182.7
[M+CH3COO]- 428.99813 187.6
[M+Na-2H]- 390.95895 176.3
[M]+ 369.98373 181.0
[M]- 369.98483 181.0
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

No patent data available for this compound.