CID 59942311

1814920-62-1

Structural Information

Molecular Formula
C7H8F2N2O
SMILES
CC(=O)C1=CN(N=C1C(F)F)C
InChI
InChI=1S/C7H8F2N2O/c1-4(12)5-3-11(2)10-6(5)7(8)9/h3,7H,1-2H3
InChIKey
BEZVCXLDJHKSQE-UHFFFAOYSA-N
Compound name
1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

174.06047 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.067746 131.4
[M+Na]+ 197.049688 141.3
[M-H]- 173.053194 130.4
[M+NH4]+ 192.094293 151.1
[M+K]+ 213.023628 139.9
[M+H-H2O]+ 157.057730 123.2
[M+HCOO]- 219.058671 151.1
[M+CH3COO]- 233.074321 181.4
[M+Na-2H]- 195.035136 133.4
[M]+ 174.05992142 130.3
[M]- 174.06101858 130.3
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

patents stripe