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

52
Patents

263.14856 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.155836 156.5
[M+Na]+ 286.137778 165.6
[M-H]- 262.141284 159.4
[M+NH4]+ 281.182383 171.8
[M+K]+ 302.111718 159.2
[M+H-H2O]+ 246.145820 141.9
[M+HCOO]- 308.146761 171.0
[M+CH3COO]- 322.162411 210.5
[M+Na-2H]- 284.123226 156.9
[M]+ 263.14801142 146.8
[M]- 263.14910858 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