CID 2060880

4-(difluoromethoxy)-3-methoxybenzonitrile

Structural Information

Molecular Formula
C9H7F2NO2
SMILES
COC1=C(C=CC(=C1)C#N)OC(F)F
InChI
InChI=1S/C9H7F2NO2/c1-13-8-4-6(5-12)2-3-7(8)14-9(10)11/h2-4,9H,1H3
InChIKey
QXTCZOITVDAGKZ-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-3-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.04448 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05176 134.0
[M+Na]+ 222.03370 144.8
[M-H]- 198.03720 135.2
[M+NH4]+ 217.07830 151.5
[M+K]+ 238.00764 142.7
[M+H-H2O]+ 182.04174 120.4
[M+HCOO]- 244.04268 152.7
[M+CH3COO]- 258.05833 197.0
[M+Na-2H]- 220.01915 138.5
[M]+ 199.04393 129.5
[M]- 199.04503 129.5
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.