CID 20084747

(nonafluorobutoxy)acetic acid

Structural Information

Molecular Formula
C6H3F9O3
SMILES
C(C(=O)O)OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H3F9O3/c7-3(8,5(11,12)13)4(9,10)6(14,15)18-1-2(16)17/h1H2,(H,16,17)
InChIKey
ZQCRIOXXOXFNAS-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

293.99384 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.00112 148.7
[M+Na]+ 316.98306 157.4
[M-H]- 292.98656 137.0
[M+NH4]+ 312.02766 162.6
[M+K]+ 332.95700 155.7
[M+H-H2O]+ 276.99110 138.2
[M+HCOO]- 338.99204 155.0
[M+CH3COO]- 353.00769 197.7
[M+Na-2H]- 314.96851 152.5
[M]+ 293.99329 136.3
[M]- 293.99439 136.3
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