CID 14484725

(2,6-dichloro-4-methoxyphenyl)methanol

Structural Information

Molecular Formula
C8H8Cl2O2
SMILES
COC1=CC(=C(C(=C1)Cl)CO)Cl
InChI
InChI=1S/C8H8Cl2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-3,11H,4H2,1H3
InChIKey
GZPKMEKJXBJIEZ-UHFFFAOYSA-N
Compound name
(2,6-dichloro-4-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

205.99013 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.997406 135.5
[M+Na]+ 228.979348 146.8
[M-H]- 204.982854 138.1
[M+NH4]+ 224.023953 156.0
[M+K]+ 244.953288 142.0
[M+H-H2O]+ 188.987390 132.6
[M+HCOO]- 250.988331 149.8
[M+CH3COO]- 265.003981 181.8
[M+Na-2H]- 226.964796 140.7
[M]+ 205.98958142 140.2
[M]- 205.99067858 140.2
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

patents stripe