CID 64904607

1-(2,4-difluorophenyl)-3-oxocyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C11H7F2NO
SMILES
C1C(=O)CC1(C#N)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C11H7F2NO/c12-7-1-2-9(10(13)3-7)11(6-14)4-8(15)5-11/h1-3H,4-5H2
InChIKey
PJYNAABTVLSRQR-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-3-oxocyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04958 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05686 135.3
[M+Na]+ 230.03880 146.1
[M-H]- 206.04230 139.6
[M+NH4]+ 225.08340 148.7
[M+K]+ 246.01274 145.3
[M+H-H2O]+ 190.04684 118.3
[M+HCOO]- 252.04778 152.8
[M+CH3COO]- 266.06343 200.7
[M+Na-2H]- 228.02425 140.0
[M]+ 207.04903 136.1
[M]- 207.05013 136.1
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.