CID 2783376

812-70-4

Structural Information

Molecular Formula

C₁₀H₅F₁₅O₂

SMILES

C(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O

InChI

InChI=1S/C10H5F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27)

InChIKey

HLBRGVKRZQSQHB-UHFFFAOYSA-N

Compound name

4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 64
Patents: 442.005 Da
Monoisotopic Mass: 5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	443.012276	157.2
[M+Na]+	464.994218	163.2
[M-H]-	440.997724	163.0
[M+NH4]+	460.038823	165.1
[M+K]+	480.968158	169.2
[M+H-H2O]+	425.002260	168.3
[M+HCOO]-	487.003201	175.5
[M+CH3COO]-	501.018851	226.1
[M+Na-2H]-	462.979666	156.3
[M]+	442.00445142	155.5
[M]-	442.00554858	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe