CID 99982853

4-iodo-1-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C4H2F3IN2
SMILES
C1=C(C=NN1C(F)(F)F)I
InChI
InChI=1S/C4H2F3IN2/c5-4(6,7)10-2-3(8)1-9-10/h1-2H
InChIKey
FQPUAMNCEFIKNM-UHFFFAOYSA-N
Compound name
4-iodo-1-(trifluoromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

261.92148 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.92876 126.2
[M+Na]+ 284.91070 129.9
[M-H]- 260.91420 117.4
[M+NH4]+ 279.95530 141.7
[M+K]+ 300.88464 134.0
[M+H-H2O]+ 244.91874 114.4
[M+HCOO]- 306.91968 140.8
[M+CH3COO]- 320.93533 182.7
[M+Na-2H]- 282.89615 121.0
[M]+ 261.92093 120.3
[M]- 261.92203 120.3
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

patents stripe