CID 17770018

5-(difluoromethoxy)-1,3-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C6H8F2N2O
SMILES
CC1=NN(C(=C1)OC(F)F)C
InChI
InChI=1S/C6H8F2N2O/c1-4-3-5(10(2)9-4)11-6(7)8/h3,6H,1-2H3
InChIKey
LLLPWPXXZRALSB-UHFFFAOYSA-N
Compound name
5-(difluoromethoxy)-1,3-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

162.06047 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06775 127.9
[M+Na]+ 185.04969 138.2
[M-H]- 161.05319 126.9
[M+NH4]+ 180.09429 148.2
[M+K]+ 201.02363 137.2
[M+H-H2O]+ 145.05773 119.7
[M+HCOO]- 207.05867 148.7
[M+CH3COO]- 221.07432 178.4
[M+Na-2H]- 183.03514 131.6
[M]+ 162.05992 127.7
[M]- 162.06102 127.7
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

patents stripe