CID 11284259

(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)propanedioic acid

Structural Information

Molecular Formula
C13H7F17O4
SMILES
C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(=O)O)C(=O)O
InChI
InChI=1S/C13H7F17O4/c14-6(15,2-1-3(4(31)32)5(33)34)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h3H,1-2H2,(H,31,32)(H,33,34)
InChIKey
GDJGFJSXWIXQLR-UHFFFAOYSA-N
Compound name
2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)propanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

550.00726 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.01454 175.9
[M+Na]+ 572.99648 180.4
[M-H]- 548.99998 186.5
[M+NH4]+ 568.04108 186.9
[M+K]+ 588.97042 189.7
[M+H-H2O]+ 533.00452 165.2
[M+HCOO]- 595.00546 188.1
[M+CH3COO]- 609.02111 240.7
[M+Na-2H]- 570.98193 174.1
[M]+ 550.00671 172.9
[M]- 550.00781 172.9
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

patents stripe