CID 139595127

Ns00011101

Structural Information

Molecular Formula
C12H4F20O2
SMILES
C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)C(=O)O
InChI
InChI=1S/C12H4F20O2/c13-2(1-3(33)34)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)32/h2H,1H2,(H,33,34)
InChIKey
GRLFNRSOOKOYMF-UHFFFAOYSA-N
Compound name
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-icosafluorododecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.9892 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.99648 176.3
[M+Na]+ 582.97842 181.2
[M-H]- 558.98192 185.9
[M+NH4]+ 578.02302 187.3
[M+K]+ 598.95236 191.8
[M+H-H2O]+ 542.98646 165.3
[M+HCOO]- 604.98740 191.5
[M+CH3COO]- 619.00305 244.7
[M+Na-2H]- 580.96387 176.2
[M]+ 559.98865 173.5
[M]- 559.98975 173.5
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.