CID 139595577

Dpflca_n_1, n=9

Structural Information

Molecular Formula
C13HF23O2
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C13HF23O2/c14-1(2(15)6(20,21)22)4(16,17)7(23,24)9(27,28)11(31,32)13(35,36)12(33,34)10(29,30)8(25,26)5(18,19)3(37)38/h(H,37,38)/b2-1+
InChIKey
JJPKQRDXKCTMCN-OWOJBTEDSA-N
Compound name
(E)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-tricosafluorotridec-11-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

625.96094 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 626.96822 152.7
[M+Na]+ 648.95016 152.7
[M+NH4]+ 643.99476 152.7
[M+K]+ 664.92410 152.7
[M-H]- 624.95366 163.1
[M+Na-2H]- 646.93561 163.7
[M]+ 625.96039 152.7
[M]- 625.96149 152.7
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.