CID 61394913

4-chloro-3-[4-(trifluoromethoxy)phenyl]-1h-pyrazole

Structural Information

Molecular Formula
C10H6ClF3N2O
SMILES
C1=CC(=CC=C1C2=C(C=NN2)Cl)OC(F)(F)F
InChI
InChI=1S/C10H6ClF3N2O/c11-8-5-15-16-9(8)6-1-3-7(4-2-6)17-10(12,13)14/h1-5H,(H,15,16)
InChIKey
XNMSPIQCWXYFAA-UHFFFAOYSA-N
Compound name
4-chloro-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0121 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.01938 149.1
[M+Na]+ 285.00132 160.0
[M-H]- 261.00482 148.5
[M+NH4]+ 280.04592 165.1
[M+K]+ 300.97526 153.9
[M+H-H2O]+ 245.00936 139.5
[M+HCOO]- 307.01030 162.1
[M+CH3COO]- 321.02595 188.6
[M+Na-2H]- 282.98677 153.3
[M]+ 262.01155 147.0
[M]- 262.01265 147.0
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.