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]+ 272.96948 130.6
[M+Na]+ 294.95142 134.6
[M-H]- 270.95492 123.3
[M+NH4]+ 289.99602 146.3
[M+K]+ 310.92536 138.6
[M+H-H2O]+ 254.95946 119.6
[M+HCOO]- 316.96040 146.3
[M+CH3COO]- 330.97605 189.0
[M+Na-2H]- 292.93687 122.0
[M]+ 271.96165 127.3
[M]- 271.96275 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.