CID 3863467

886499-68-9

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 132.3
[M+Na]+ 213.00890 143.3
[M-H]- 189.01240 134.1
[M+NH4]+ 208.05350 152.9
[M+K]+ 228.98284 139.4
[M+H-H2O]+ 173.01694 127.5
[M+HCOO]- 235.01788 150.6
[M+CH3COO]- 249.03353 179.7
[M+Na-2H]- 210.99435 137.6
[M]+ 190.01913 134.9
[M]- 190.02023 134.9
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.