CID 64560793

1-(2,4-difluorophenyl)cyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C12H11F2N
SMILES
C1CCC(C1)(C#N)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C12H11F2N/c13-9-3-4-10(11(14)7-9)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKey
KKGKPRKHCCWHPO-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)cyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08595 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09323 141.8
[M+Na]+ 230.07517 153.0
[M-H]- 206.07867 145.4
[M+NH4]+ 225.11977 162.3
[M+K]+ 246.04911 146.5
[M+H-H2O]+ 190.08321 128.1
[M+HCOO]- 252.08415 159.6
[M+CH3COO]- 266.09980 196.9
[M+Na-2H]- 228.06062 145.0
[M]+ 207.08540 132.4
[M]- 207.08650 132.4
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

No patent data available for this compound.