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

140
Patents

205.99013 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.99741 135.5
[M+Na]+ 228.97935 146.8
[M-H]- 204.98285 138.1
[M+NH4]+ 224.02395 156.0
[M+K]+ 244.95329 142.0
[M+H-H2O]+ 188.98739 132.6
[M+HCOO]- 250.98833 149.8
[M+CH3COO]- 265.00398 181.8
[M+Na-2H]- 226.96480 140.7
[M]+ 205.98958 140.2
[M]- 205.99068 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