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
3
Annotation Hits

0
References

16
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 159.3
[M+Na]+ 502.93017 165.3
[M-H]- 478.93367 167.7
[M+NH4]+ 497.97477 168.8
[M+K]+ 518.90411 172.9
[M+H-H2O]+ 462.93821 149.4
[M+HCOO]- 524.93915 178.2
[M+CH3COO]- 538.95480 230.4
[M+Na-2H]- 500.91562 159.5
[M]+ 479.94040 160.5
[M]- 479.94150 160.5
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