CID 83854588

1402550-75-7

Structural Information

Molecular Formula
C6H5F2NO
SMILES
C1=CC(=O)NC=C1C(F)F
InChI
InChI=1S/C6H5F2NO/c7-6(8)4-1-2-5(10)9-3-4/h1-3,6H,(H,9,10)
InChIKey
HFHSPDOMAZYGRR-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

145.03392 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04120 122.2
[M+Na]+ 168.02314 131.5
[M-H]- 144.02664 121.0
[M+NH4]+ 163.06774 141.7
[M+K]+ 183.99708 128.8
[M+H-H2O]+ 128.03118 114.8
[M+HCOO]- 190.03212 142.3
[M+CH3COO]- 204.04777 170.9
[M+Na-2H]- 166.00859 128.5
[M]+ 145.03337 117.8
[M]- 145.03447 117.8
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