CID 155978167

5-(1,1-difluoroethyl)-4-iodo-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C6H7F2IN2
SMILES
CC(C1=C(C=NN1C)I)(F)F
InChI
InChI=1S/C6H7F2IN2/c1-6(7,8)5-4(9)3-10-11(5)2/h3H,1-2H3
InChIKey
SYJAGSQXBWRDML-UHFFFAOYSA-N
Compound name
5-(1,1-difluoroethyl)-4-iodo-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.9622 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.96948 133.1
[M+Na]+ 294.95142 136.9
[M-H]- 270.95492 125.7
[M+NH4]+ 289.99602 148.6
[M+K]+ 310.92536 140.9
[M+H-H2O]+ 254.95946 122.3
[M+HCOO]- 316.96040 148.2
[M+CH3COO]- 330.97605 187.4
[M+Na-2H]- 292.93687 126.8
[M]+ 271.96165 129.5
[M]- 271.96275 129.5
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

No patent data available for this compound.