CID 15681629

1-(difluoromethoxy)-2-fluorobenzene

Structural Information

Molecular Formula
C7H5F3O
SMILES
C1=CC=C(C(=C1)OC(F)F)F
InChI
InChI=1S/C7H5F3O/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,7H
InChIKey
WNXSLMDVLZECHU-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

325
Patents

162.02925 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03653 125.4
[M+Na]+ 185.01847 134.5
[M-H]- 161.02197 125.5
[M+NH4]+ 180.06307 146.2
[M+K]+ 200.99241 132.8
[M+H-H2O]+ 145.02651 117.5
[M+HCOO]- 207.02745 146.7
[M+CH3COO]- 221.04310 177.6
[M+Na-2H]- 183.00392 131.1
[M]+ 162.02870 122.3
[M]- 162.02980 122.3
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