CID 3016468

48076-44-4

Structural Information

Molecular Formula
C11H7F13O2
SMILES
CC(=C)C(=O)OCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H7F13O2/c1-4(2)5(25)26-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1,3H2,2H3
InChIKey
OGTUUPXNYCOCKQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

418.02383 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.03111 176.9
[M+Na]+ 441.01305 168.0
[M-H]- 417.01655 165.9
[M+NH4]+ 436.05765 170.2
[M+K]+ 456.98699 182.4
[M+H-H2O]+ 401.02109 163.7
[M+HCOO]- 463.02203 177.7
[M+CH3COO]- 477.03768 224.2
[M+Na-2H]- 438.99850 177.9
[M]+ 418.02328 159.2
[M]- 418.02438 159.2
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

patents stripe