CID 22219975

438049-36-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

160.03358 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.040856 125.8
[M+Na]+ 183.022798 136.1
[M-H]- 159.026304 125.2
[M+NH4]+ 178.067403 146.0
[M+K]+ 198.996738 133.1
[M+H-H2O]+ 143.030840 119.7
[M+HCOO]- 205.031781 146.4
[M+CH3COO]- 219.047431 173.0
[M+Na-2H]- 181.008246 130.9
[M]+ 160.03303142 123.0
[M]- 160.03412858 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