CID 60136656

1-(2,2-difluoroethyl)-4-iodo-1h-pyrazole

Structural Information

Molecular Formula
C5H5F2IN2
SMILES
C1=C(C=NN1CC(F)F)I
InChI
InChI=1S/C5H5F2IN2/c6-5(7)3-10-2-4(8)1-9-10/h1-2,5H,3H2
InChIKey
RMSRTVCUCSNIPK-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)-4-iodopyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

257.94656 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.95384 128.0
[M+Na]+ 280.93578 130.5
[M-H]- 256.93928 120.0
[M+NH4]+ 275.98038 143.5
[M+K]+ 296.90972 134.9
[M+H-H2O]+ 240.94382 116.3
[M+HCOO]- 302.94476 143.9
[M+CH3COO]- 316.96041 184.0
[M+Na-2H]- 278.92123 121.0
[M]+ 257.94601 123.5
[M]- 257.94711 123.5
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