CID 118065026

3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridin-2(1h)-one

Structural Information

Molecular Formula
C8H3ClF7NO
SMILES
C1=C(C(=O)NC=C1C(C(F)(F)F)(C(F)(F)F)F)Cl
InChI
InChI=1S/C8H3ClF7NO/c9-4-1-3(2-17-5(4)18)6(10,7(11,12)13)8(14,15)16/h1-2H,(H,17,18)
InChIKey
YXTGUYDNPREZFO-UHFFFAOYSA-N
Compound name
3-chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

296.97913 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.98641 149.4
[M+Na]+ 319.96835 161.3
[M-H]- 295.97185 142.5
[M+NH4]+ 315.01295 163.8
[M+K]+ 335.94229 155.0
[M+H-H2O]+ 279.97639 139.2
[M+HCOO]- 341.97733 155.2
[M+CH3COO]- 355.99298 195.6
[M+Na-2H]- 317.95380 154.2
[M]+ 296.97858 140.6
[M]- 296.97968 140.6
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