CID 24697313

3-[4-(difluoromethoxy)phenyl]-3-oxopropanenitrile

Structural Information

Molecular Formula
C10H7F2NO2
SMILES
C1=CC(=CC=C1C(=O)CC#N)OC(F)F
InChI
InChI=1S/C10H7F2NO2/c11-10(12)15-8-3-1-7(2-4-8)9(14)5-6-13/h1-4,10H,5H2
InChIKey
JDPFZHZAERTCDV-UHFFFAOYSA-N
Compound name
3-[4-(difluoromethoxy)phenyl]-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

211.04448 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.051756 139.8
[M+Na]+ 234.033698 149.4
[M-H]- 210.037204 140.6
[M+NH4]+ 229.078303 156.4
[M+K]+ 250.007638 146.7
[M+H-H2O]+ 194.041740 125.8
[M+HCOO]- 256.042681 157.4
[M+CH3COO]- 270.058331 198.6
[M+Na-2H]- 232.019146 143.1
[M]+ 211.04393142 134.0
[M]- 211.04502858 134.0
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