CID 11355562

265108-36-9

Structural Information

Molecular Formula

C₇H₁₀F₂O

SMILES

C1CC(CCC1C=O)(F)F

InChI

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

InChIKey

DNSDOTKSZMHDOR-UHFFFAOYSA-N

Compound name

4,4-difluorocyclohexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 489
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

literature stripe

Patent stripe

patents stripe