CID 131307261

2092716-92-0

Structural Information

Molecular Formula
C7H6BrF3N2
SMILES
C1CC1(C(F)(F)F)N2C=C(C=N2)Br
InChI
InChI=1S/C7H6BrF3N2/c8-5-3-12-13(4-5)6(1-2-6)7(9,10)11/h3-4H,1-2H2
InChIKey
XAOONOVLIDDXTK-UHFFFAOYSA-N
Compound name
4-bromo-1-[1-(trifluoromethyl)cyclopropyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.96664 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97392 146.3
[M+Na]+ 276.95586 161.6
[M-H]- 252.95936 150.8
[M+NH4]+ 272.00046 163.6
[M+K]+ 292.92980 150.1
[M+H-H2O]+ 236.96390 144.1
[M+HCOO]- 298.96484 163.2
[M+CH3COO]- 312.98049 191.1
[M+Na-2H]- 274.94131 153.3
[M]+ 253.96609 163.0
[M]- 253.96719 163.0
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.