CID 22011189

206198-07-4

Structural Information

Molecular Formula
C7H6F2O2
SMILES
C1=C(C=C(C(=C1F)O)F)CO
InChI
InChI=1S/C7H6F2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,10-11H,3H2
InChIKey
GKBXKARGOXJKOD-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

160.03358 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04086 125.8
[M+Na]+ 183.02280 136.1
[M-H]- 159.02630 125.2
[M+NH4]+ 178.06740 146.0
[M+K]+ 198.99674 133.1
[M+H-H2O]+ 143.03084 119.7
[M+HCOO]- 205.03178 146.4
[M+CH3COO]- 219.04743 173.0
[M+Na-2H]- 181.00825 130.9
[M]+ 160.03303 123.0
[M]- 160.03413 123.0
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