CID 83854457

1374657-55-2

Structural Information

Molecular Formula

C₇H₁₀F₂O

SMILES

C1CC(CC(C1)(F)F)C=O

InChI

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

InChIKey

HQMNJENYWJGTDD-UHFFFAOYSA-N

Compound name

3,3-difluorocyclohexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 148.06998 Da
Monoisotopic Mass: 1.6
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]+	149.07726	126.7
[M+Na]+	171.05920	134.1
[M-H]-	147.06270	127.6
[M+NH4]+	166.10380	149.9
[M+K]+	187.03314	132.8
[M+H-H2O]+	131.06724	120.7
[M+HCOO]-	193.06818	145.9
[M+CH3COO]-	207.08383	173.7
[M+Na-2H]-	169.04465	132.3
[M]+	148.06943	120.6
[M]-	148.07053	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe