CID 893589

(3,5-dichloro-4-methoxyphenyl)methanol

Structural Information

Molecular Formula
C8H8Cl2O2
SMILES
COC1=C(C=C(C=C1Cl)CO)Cl
InChI
InChI=1S/C8H8Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4H2,1H3
InChIKey
JGXJHWOAICEPDE-UHFFFAOYSA-N
Compound name
(3,5-dichloro-4-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
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

literature stripe

Patent stripe

patents stripe