CID 125724970

5-(difluoromethyl)-4-iodo-1,3-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C6H7F2IN2
SMILES
CC1=NN(C(=C1I)C(F)F)C
InChI
InChI=1S/C6H7F2IN2/c1-3-4(9)5(6(7)8)11(2)10-3/h6H,1-2H3
InChIKey
NDNJGLYNAUKQEH-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-4-iodo-1,3-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.9622 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.969476 130.6
[M+Na]+ 294.951418 134.6
[M-H]- 270.954924 123.3
[M+NH4]+ 289.996023 146.3
[M+K]+ 310.925358 138.6
[M+H-H2O]+ 254.959460 119.6
[M+HCOO]- 316.960401 146.3
[M+CH3COO]- 330.976051 189.0
[M+Na-2H]- 292.936866 122.0
[M]+ 271.96165142 127.3
[M]- 271.96274858 127.3
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

No patent data available for this compound.