CID 156600022

Ns00134705

Structural Information

Molecular Formula
C11H7F13O3
SMILES
C=C(C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C11H7F13O3/c1-4(25)5(26)27-3-2-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25H,1-3H2
InChIKey
HWADLCQYVUOOTE-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-hydroxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.01877 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.02605 159.3
[M+Na]+ 457.00799 166.1
[M-H]- 433.01149 165.6
[M+NH4]+ 452.05259 168.3
[M+K]+ 472.98193 170.6
[M+H-H2O]+ 417.01603 166.4
[M+HCOO]- 479.01697 175.8
[M+CH3COO]- 493.03262 223.6
[M+Na-2H]- 454.99344 157.8
[M]+ 434.01822 157.4
[M]- 434.01932 157.4
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.