CID 20466382

[(tridecafluorohexyl)oxy]acetic acid

Structural Information

Molecular Formula
C8H3F13O3
SMILES
C(C(=O)O)OC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F13O3/c9-3(10,5(13,14)7(17,18)19)4(11,12)6(15,16)8(20,21)24-1-2(22)23/h1H2,(H,22,23)
InChIKey
KRSYQGXCVSTLKV-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

393.98746 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.99474 169.5
[M+Na]+ 416.97668 178.3
[M-H]- 392.98018 152.3
[M+NH4]+ 412.02128 154.6
[M+K]+ 432.95062 175.9
[M+H-H2O]+ 376.98472 156.6
[M+HCOO]- 438.98566 166.2
[M+CH3COO]- 453.00131 216.4
[M+Na-2H]- 414.96213 172.6
[M]+ 393.98691 145.9
[M]- 393.98801 145.9
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