CID 53434418

3-[4-(difluoromethoxy)phenyl]propanenitrile

Structural Information

Molecular Formula
C10H9F2NO
SMILES
C1=CC(=CC=C1CCC#N)OC(F)F
InChI
InChI=1S/C10H9F2NO/c11-10(12)14-9-5-3-8(4-6-9)2-1-7-13/h3-6,10H,1-2H2
InChIKey
OHJUATDHAPPOLD-UHFFFAOYSA-N
Compound name
3-[4-(difluoromethoxy)phenyl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06522 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07250 136.4
[M+Na]+ 220.05444 146.0
[M-H]- 196.05794 137.1
[M+NH4]+ 215.09904 153.7
[M+K]+ 236.02838 143.0
[M+H-H2O]+ 180.06248 122.4
[M+HCOO]- 242.06342 154.5
[M+CH3COO]- 256.07907 196.9
[M+Na-2H]- 218.03989 140.9
[M]+ 197.06467 130.5
[M]- 197.06577 130.5
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.