CID 155821301

2445791-43-3

Structural Information

Molecular Formula
C5H5F2IN2
SMILES
CC(C1=C(C=NN1)I)(F)F
InChI
InChI=1S/C5H5F2IN2/c1-5(6,7)4-3(8)2-9-10-4/h2H,1H3,(H,9,10)
InChIKey
IWSXUILHJDDQSY-UHFFFAOYSA-N
Compound name
5-(1,1-difluoroethyl)-4-iodo-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 131.0
[M+Na]+ 280.93578 133.8
[M-H]- 256.93928 122.0
[M+NH4]+ 275.98038 146.0
[M+K]+ 296.90972 137.2
[M+H-H2O]+ 240.94382 120.2
[M+HCOO]- 302.94476 144.9
[M+CH3COO]- 316.96041 181.0
[M+Na-2H]- 278.92123 125.2
[M]+ 257.94601 124.8
[M]- 257.94711 124.8
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.