CID 85828788

Perfluorodecylphosphonic acid

Structural Information

Molecular Formula
C10H2F21O3P
SMILES
C(C(C(C(C(C(F)(F)P(=O)(O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H2F21O3P/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H2,32,33,34)
InChIKey
CTGNCBOZEMOASL-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

63
Patents

599.9406 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.94788 182.2
[M+Na]+ 622.92982 184.3
[M-H]- 598.93332 192.9
[M+NH4]+ 617.97442 191.8
[M+K]+ 638.90376 194.8
[M+H-H2O]+ 582.93786 162.6
[M+HCOO]- 644.93880 201.0
[M+CH3COO]- 658.95445 246.9
[M+Na-2H]- 620.91527 179.7
[M]+ 599.94005 179.3
[M]- 599.94115 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe