CID 86093771

875306-42-6

Structural Information

Molecular Formula

C₁₀H₅F₇O

SMILES

C1=CC(=CC=C1C=O)C(C(F)(F)F)(C(F)(F)F)F

InChI

InChI=1S/C10H5F7O/c11-8(9(12,13)14,10(15,16)17)7-3-1-6(5-18)2-4-7/h1-5H

InChIKey

WYIPEGIQFRQBAA-UHFFFAOYSA-N

Compound name

4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 49
Patents: 274.02286 Da
Monoisotopic Mass: 3.6
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]+	275.03014	150.2
[M+Na]+	297.01208	160.2
[M-H]-	273.01558	145.4
[M+NH4]+	292.05668	166.3
[M+K]+	312.98602	156.3
[M+H-H2O]+	257.02012	139.5
[M+HCOO]-	319.02106	162.4
[M+CH3COO]-	333.03671	196.6
[M+Na-2H]-	294.99753	155.2
[M]+	274.02231	140.9
[M]-	274.02341	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe