CID 506194

Genz-6371

Structural Information

Molecular Formula
C15H9ClFN3O2
SMILES
C1=CC(=CC=C1N2C=C(C=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)F
InChI
InChI=1S/C15H9ClFN3O2/c16-15-7-13(20(21)22)5-6-14(15)10-8-18-19(9-10)12-3-1-11(17)2-4-12/h1-9H
InChIKey
YIVHRDCNVLUKHH-UHFFFAOYSA-N
Compound name
4-(2-chloro-4-nitrophenyl)-1-(4-fluorophenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.03674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04402 168.9
[M+Na]+ 340.02596 178.2
[M-H]- 316.02946 175.3
[M+NH4]+ 335.07056 182.0
[M+K]+ 355.99990 167.8
[M+H-H2O]+ 300.03400 163.2
[M+HCOO]- 362.03494 187.3
[M+CH3COO]- 376.05059 198.6
[M+Na-2H]- 338.01141 173.4
[M]+ 317.03619 168.7
[M]- 317.03729 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.