CID 68015

(difluoromethoxy)benzene

Structural Information

Molecular Formula
C7H6F2O
SMILES
C1=CC=C(C=C1)OC(F)F
InChI
InChI=1S/C7H6F2O/c8-7(9)10-6-4-2-1-3-5-6/h1-5,7H
InChIKey
LMVBQQAXGZVBFH-UHFFFAOYSA-N
Compound name
difluoromethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2087
Patents

144.03867 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04595 123.3
[M+Na]+ 167.02789 131.4
[M-H]- 143.03139 124.5
[M+NH4]+ 162.07249 144.6
[M+K]+ 183.00183 130.2
[M+H-H2O]+ 127.03593 116.2
[M+HCOO]- 189.03687 145.7
[M+CH3COO]- 203.05252 173.7
[M+Na-2H]- 165.01334 130.3
[M]+ 144.03812 121.0
[M]- 144.03922 121.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe