CID 2774087

1,4-difluoro-2,5-dimethoxybenzene

Structural Information

Molecular Formula
C8H8F2O2
SMILES
COC1=CC(=C(C=C1F)OC)F
InChI
InChI=1S/C8H8F2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
InChIKey
QNQUBUBFPGHXAL-UHFFFAOYSA-N
Compound name
1,4-difluoro-2,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

44
Patents

174.04924 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.056516 129.0
[M+Na]+ 197.038458 139.7
[M-H]- 173.041964 131.1
[M+NH4]+ 192.083063 150.1
[M+K]+ 213.012398 138.4
[M+H-H2O]+ 157.046500 122.1
[M+HCOO]- 219.047441 152.3
[M+CH3COO]- 233.063091 181.3
[M+Na-2H]- 195.023906 134.6
[M]+ 174.04869142 130.3
[M]- 174.04978858 130.3
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