CID 3863467

6-chloro-2-fluoro-3-methoxybenzyl alcohol

Structural Information

Molecular Formula
C8H8ClFO2
SMILES
COC1=C(C(=C(C=C1)Cl)CO)F
InChI
InChI=1S/C8H8ClFO2/c1-12-7-3-2-6(9)5(4-11)8(7)10/h2-3,11H,4H2,1H3
InChIKey
CZTGASKCWTWLBB-UHFFFAOYSA-N
Compound name
(6-chloro-2-fluoro-3-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.01968 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.02696 133.4
[M+Na]+ 213.00890 147.0
[M+NH4]+ 208.05350 141.7
[M+K]+ 228.98284 140.4
[M-H]- 189.01240 133.9
[M+Na-2H]- 210.99435 139.7
[M]+ 190.01913 135.7
[M]- 190.02023 135.7
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.