CID 83854439

1545621-53-1

Structural Information

Molecular Formula

C₇H₁₀F₂O

SMILES

C1CCC(C(C1)C=O)(F)F

InChI

InChI=1S/C7H10F2O/c8-7(9)4-2-1-3-6(7)5-10/h5-6H,1-4H2

InChIKey

BQJFCQYQHLABBQ-UHFFFAOYSA-N

Compound name

2,2-difluorocyclohexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 148.06998 Da
Monoisotopic Mass: 1.8
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]+	149.077256	126.7
[M+Na]+	171.059198	134.1
[M-H]-	147.062704	127.6
[M+NH4]+	166.103803	149.9
[M+K]+	187.033138	132.8
[M+H-H2O]+	131.067240	120.7
[M+HCOO]-	193.068181	145.9
[M+CH3COO]-	207.083831	173.7
[M+Na-2H]-	169.044646	132.3
[M]+	148.06943142	120.6
[M]-	148.07052858	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe