CID 23282169

167306-96-9

Structural Information

Molecular Formula
C16H19F2N
SMILES
CCCC1CCC(CC1)C2=CC(=C(C(=C2)F)C#N)F
InChI
InChI=1S/C16H19F2N/c1-2-3-11-4-6-12(7-5-11)13-8-15(17)14(10-19)16(18)9-13/h8-9,11-12H,2-7H2,1H3
InChIKey
KTBIKJACWUFHMI-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-(4-propylcyclohexyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

263.14856 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15584 156.5
[M+Na]+ 286.13778 165.6
[M-H]- 262.14128 159.4
[M+NH4]+ 281.18238 171.8
[M+K]+ 302.11172 159.2
[M+H-H2O]+ 246.14582 141.9
[M+HCOO]- 308.14676 171.0
[M+CH3COO]- 322.16241 210.5
[M+Na-2H]- 284.12323 156.9
[M]+ 263.14801 146.8
[M]- 263.14911 146.8
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