CID 46942231

4,4-difluorocyclohexanecarboxamide

Structural Information

Molecular Formula
C7H11F2NO
SMILES
C1CC(CCC1C(=O)N)(F)F
InChI
InChI=1S/C7H11F2NO/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H2,10,11)
InChIKey
JKPXYSGFTYLPTJ-UHFFFAOYSA-N
Compound name
4,4-difluorocyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

163.08087 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08815 131.8
[M+Na]+ 186.07009 138.0
[M-H]- 162.07359 132.0
[M+NH4]+ 181.11469 153.6
[M+K]+ 202.04403 136.7
[M+H-H2O]+ 146.07813 125.5
[M+HCOO]- 208.07907 150.3
[M+CH3COO]- 222.09472 178.6
[M+Na-2H]- 184.05554 135.2
[M]+ 163.08032 123.2
[M]- 163.08142 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe