CID 3682862

2,6-difluoro-3-methoxyphenol

Structural Information

Molecular Formula
C7H6F2O2
SMILES
COC1=C(C(=C(C=C1)F)O)F
InChI
InChI=1S/C7H6F2O2/c1-11-5-3-2-4(8)7(10)6(5)9/h2-3,10H,1H3
InChIKey
UOVAWRHEABQHGR-UHFFFAOYSA-N
Compound name
2,6-difluoro-3-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

160.03358 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04086 125.0
[M+Na]+ 183.02280 135.7
[M-H]- 159.02630 125.9
[M+NH4]+ 178.06740 145.9
[M+K]+ 198.99674 133.7
[M+H-H2O]+ 143.03084 118.6
[M+HCOO]- 205.03178 147.1
[M+CH3COO]- 219.04743 175.6
[M+Na-2H]- 181.00825 130.7
[M]+ 160.03303 124.1
[M]- 160.03413 124.1
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