CID 2736040

Bis(hexafluoroisopropyl)itaconate

Structural Information

Molecular Formula
C11H6F12O4
SMILES
C=C(CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H6F12O4/c1-3(5(25)27-7(10(18,19)20)11(21,22)23)2-4(24)26-6(8(12,13)14)9(15,16)17/h6-7H,1-2H2
InChIKey
OICRDFIVTSEVJJ-UHFFFAOYSA-N
Compound name
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-methylidenebutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

430.00745 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.01473 185.4
[M+Na]+ 452.99667 184.9
[M+NH4]+ 448.04127 183.9
[M+K]+ 468.97061 183.8
[M-H]- 429.00017 179.4
[M+Na-2H]- 450.98212 182.4
[M]+ 430.00690 183.3
[M]- 430.00800 183.3
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