CID 81931392

3-(4,4-difluorocyclohexyl)-3-oxopropanenitrile

Structural Information

Molecular Formula
C9H11F2NO
SMILES
C1CC(CCC1C(=O)CC#N)(F)F
InChI
InChI=1S/C9H11F2NO/c10-9(11)4-1-7(2-5-9)8(13)3-6-12/h7H,1-5H2
InChIKey
LGOCOBCFMCLPRZ-UHFFFAOYSA-N
Compound name
3-(4,4-difluorocyclohexyl)-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

187.08087 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08815 143.0
[M+Na]+ 210.07009 151.9
[M+NH4]+ 205.11469 147.7
[M+K]+ 226.04403 141.3
[M-H]- 186.07359 134.2
[M+Na-2H]- 208.05554 145.0
[M]+ 187.08032 140.8
[M]- 187.08142 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe