CID 98463175

1980085-69-5

Structural Information

Molecular Formula
C17H24F13O3P
SMILES
C(CCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCP(=O)(O)O
InChI
InChI=1S/C17H24F13O3P/c18-12(19,10-8-6-4-2-1-3-5-7-9-11-34(31,32)33)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h1-11H2,(H2,31,32,33)
InChIKey
BUBQNXNENZFVMX-UHFFFAOYSA-N
Compound name
12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.12555 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.13283 189.9
[M+Na]+ 577.11477 192.0
[M-H]- 553.11827 191.7
[M+NH4]+ 572.15937 194.9
[M+K]+ 593.08871 198.9
[M+H-H2O]+ 537.12281 171.7
[M+HCOO]- 599.12375 206.9
[M+CH3COO]- 613.13940 244.3
[M+Na-2H]- 575.10022 181.0
[M]+ 554.12500 185.6
[M]- 554.12610 185.6
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.