CID 59100

4-heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, oxime

Structural Information

Molecular Formula
C9H7F12NO3
SMILES
C(C(=NO)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C9H7F12NO3/c10-6(11,12)4(23,7(13,14)15)1-3(22-25)2-5(24,8(16,17)18)9(19,20)21/h23-25H,1-2H2
InChIKey
XJGKGADPBJZEFZ-UHFFFAOYSA-N
Compound name
1,1,1,7,7,7-hexafluoro-4-hydroxyimino-2,6-bis(trifluoromethyl)heptane-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.02344 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.03072 184.3
[M+Na]+ 428.01266 183.7
[M+NH4]+ 423.05726 182.9
[M+K]+ 443.98660 182.6
[M-H]- 404.01616 178.3
[M+Na-2H]- 425.99811 181.5
[M]+ 405.02289 182.2
[M]- 405.02399 182.2
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.