CID 139594151

Dpflca_5_n, n=3

Structural Information

Molecular Formula
C11HF19O2
SMILES
C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)(\C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C11HF19O2/c12-1(2(13)5(16,17)9(24,25)11(28,29)30)4(14,15)7(20,21)10(26,27)8(22,23)6(18,19)3(31)32/h(H,31,32)/b2-1+
InChIKey
AGZBRDLKFIACID-OWOJBTEDSA-N
Compound name
(E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,11-nonadecafluoroundec-7-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

525.9673 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.97458 171.3
[M+Na]+ 548.95652 177.6
[M-H]- 524.96002 181.5
[M+NH4]+ 544.00112 182.9
[M+K]+ 564.93046 186.7
[M+H-H2O]+ 508.96456 162.0
[M+HCOO]- 570.96550 185.2
[M+CH3COO]- 584.98115 238.8
[M+Na-2H]- 546.94197 171.8
[M]+ 525.96675 167.6
[M]- 525.96785 167.6
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

No patent data available for this compound.