CID 61265125

4-bromo-1-cyclopentyl-5-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H10BrF3N2
SMILES
C1CCC(C1)N2C(=C(C=N2)Br)C(F)(F)F
InChI
InChI=1S/C9H10BrF3N2/c10-7-5-14-15(6-3-1-2-4-6)8(7)9(11,12)13/h5-6H,1-4H2
InChIKey
IJFLEXNIUIVFGD-UHFFFAOYSA-N
Compound name
4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.99796 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00524 158.3
[M+Na]+ 304.98718 170.6
[M-H]- 280.99068 161.8
[M+NH4]+ 300.03178 179.0
[M+K]+ 320.96112 159.6
[M+H-H2O]+ 264.99522 155.6
[M+HCOO]- 326.99616 173.8
[M+CH3COO]- 341.01181 193.3
[M+Na-2H]- 302.97263 160.2
[M]+ 281.99741 171.1
[M]- 281.99851 171.1
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.