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]+ 272.969476 133.1
[M+Na]+ 294.951418 136.9
[M-H]- 270.954924 125.7
[M+NH4]+ 289.996023 148.6
[M+K]+ 310.925358 140.9
[M+H-H2O]+ 254.959460 122.3
[M+HCOO]- 316.960401 148.2
[M+CH3COO]- 330.976051 187.4
[M+Na-2H]- 292.936866 126.8
[M]+ 271.96165142 129.5
[M]- 271.96274858 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.