CID 13110997

Perfluorotridecanedioic acid

Structural Information

Molecular Formula
C13H2F22O4
SMILES
C(=O)(C(C(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)F)(F)F)O
InChI
InChI=1S/C13H2F22O4/c14-3(15,1(36)37)5(18,19)7(22,23)9(26,27)11(30,31)13(34,35)12(32,33)10(28,29)8(24,25)6(20,21)4(16,17)2(38)39/h(H,36,37)(H,38,39)
InChIKey
IKDIDBNVYPGSQG-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-docosafluorotridecanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

639.9602 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.96748 185.8
[M+Na]+ 662.94942 188.7
[M-H]- 638.95292 199.1
[M+NH4]+ 657.99402 197.9
[M+K]+ 678.92336 201.4
[M+H-H2O]+ 622.95746 172.2
[M+HCOO]- 684.95840 199.9
[M+CH3COO]- 698.97405 252.2
[M+Na-2H]- 660.93487 185.7
[M]+ 639.95965 184.0
[M]- 639.96075 184.0
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.