CID 3794561

886500-71-6

Structural Information

Molecular Formula
C8H8F2O2
SMILES
COC1=C(C(=C(C=C1)CO)F)F
InChI
InChI=1S/C8H8F2O2/c1-12-6-3-2-5(4-11)7(9)8(6)10/h2-3,11H,4H2,1H3
InChIKey
SJKZXUYOJRZFKG-UHFFFAOYSA-N
Compound name
(2,3-difluoro-4-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.04924 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05652 129.8
[M+Na]+ 197.03846 140.1
[M-H]- 173.04196 130.4
[M+NH4]+ 192.08306 150.1
[M+K]+ 213.01240 137.8
[M+H-H2O]+ 157.04650 123.2
[M+HCOO]- 219.04744 151.5
[M+CH3COO]- 233.06309 178.6
[M+Na-2H]- 195.02391 134.9
[M]+ 174.04869 129.2
[M]- 174.04979 129.2
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

No patent data available for this compound.