CID 13110996

Perfluoroundecanedioic acid

Structural Information

Molecular Formula
C11H2F18O4
SMILES
C(=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)O
InChI
InChI=1S/C11H2F18O4/c12-3(13,1(30)31)5(16,17)7(20,21)9(24,25)11(28,29)10(26,27)8(22,23)6(18,19)4(14,15)2(32)33/h(H,30,31)(H,32,33)
InChIKey
RZXRFBVDLRTOQW-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

539.96655 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.97383 168.7
[M+Na]+ 562.95577 172.7
[M-H]- 538.95927 180.2
[M+NH4]+ 558.00037 179.5
[M+K]+ 578.92971 182.3
[M+H-H2O]+ 522.96381 156.8
[M+HCOO]- 584.96475 183.9
[M+CH3COO]- 598.98040 238.7
[M+Na-2H]- 560.94122 168.1
[M]+ 539.96600 166.8
[M]- 539.96710 166.8
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