CID 138040898

2243515-87-7

Structural Information

Molecular Formula
C7H8ClF3N2
SMILES
C1=CN(N=C1CCl)CCC(F)(F)F
InChI
InChI=1S/C7H8ClF3N2/c8-5-6-1-3-13(12-6)4-2-7(9,10)11/h1,3H,2,4-5H2
InChIKey
FBXXTWYKDVCVLO-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-(3,3,3-trifluoropropyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04008 138.4
[M+Na]+ 235.02202 148.8
[M-H]- 211.02552 135.4
[M+NH4]+ 230.06662 157.3
[M+K]+ 250.99596 144.7
[M+H-H2O]+ 195.03006 129.6
[M+HCOO]- 257.03100 152.2
[M+CH3COO]- 271.04665 183.8
[M+Na-2H]- 233.00747 143.0
[M]+ 212.03225 137.3
[M]- 212.03335 137.3
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.