CID 853175

1,2-difluoro-4,5-dimethoxybenzene

Structural Information

Molecular Formula
C8H8F2O2
SMILES
COC1=CC(=C(C=C1OC)F)F
InChI
InChI=1S/C8H8F2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
InChIKey
WWAOVLXLTJXDGS-UHFFFAOYSA-N
Compound name
1,2-difluoro-4,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

174.04924 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05652 129.0
[M+Na]+ 197.03846 139.7
[M-H]- 173.04196 131.1
[M+NH4]+ 192.08306 150.1
[M+K]+ 213.01240 138.4
[M+H-H2O]+ 157.04650 122.1
[M+HCOO]- 219.04744 152.3
[M+CH3COO]- 233.06309 181.3
[M+Na-2H]- 195.02391 134.6
[M]+ 174.04869 130.3
[M]- 174.04979 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