CID 2782473

9-chlorohexadecafluorononanoic acid

Structural Information

Molecular Formula
C9HClF16O2
SMILES
C(=O)(C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C9HClF16O2/c10-9(25,26)8(23,24)7(21,22)6(19,20)5(17,18)4(15,16)3(13,14)2(11,12)1(27)28/h(H,27,28)
InChIKey
QDGYPYFSHOUVLE-UHFFFAOYSA-N
Compound name
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

479.94095 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.94823 170.8
[M+Na]+ 502.93017 170.7
[M+NH4]+ 497.97477 170.3
[M+K]+ 518.90411 170.4
[M-H]- 478.93367 168.7
[M+Na-2H]- 500.91562 170.2
[M]+ 479.94040 170.1
[M]- 479.94150 170.1
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