CID 139598220

Ns00074563

Structural Information

Molecular Formula
C12H3F19O4
SMILES
C(C(=O)O)(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/C12H3F19O4/c13-1(2(32)33)4(14,15)6(18,19)8(22,23)10(26,27)12(30,31)11(28,29)9(24,25)7(20,21)5(16,17)3(34)35/h1H,(H,32,33)(H,34,35)
InChIKey
ZMOPKVUAUJNFPC-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-nonadecafluorododecanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

571.9728 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.98008 176.7
[M+Na]+ 594.96202 180.9
[M-H]- 570.96552 188.9
[M+NH4]+ 590.00662 188.5
[M+K]+ 610.93596 191.4
[M+H-H2O]+ 554.97006 165.2
[M+HCOO]- 616.97100 189.2
[M+CH3COO]- 630.98665 243.8
[M+Na-2H]- 592.94747 176.0
[M]+ 571.97225 174.0
[M]- 571.97335 174.0
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.