CID 21956535

14573-24-1

Structural Information

Molecular Formula
C9H10Cl2O
SMILES
C1=CC(=C(C(=C1)Cl)CCCO)Cl
InChI
InChI=1S/C9H10Cl2O/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1,4-5,12H,2-3,6H2
InChIKey
RFSGMWVMSXVTRO-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

204.01086 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.018136 138.2
[M+Na]+ 227.000078 148.2
[M-H]- 203.003584 140.1
[M+NH4]+ 222.044683 158.4
[M+K]+ 242.974018 142.4
[M+H-H2O]+ 187.008120 134.9
[M+HCOO]- 249.009061 151.8
[M+CH3COO]- 263.024711 181.6
[M+Na-2H]- 224.985526 143.3
[M]+ 204.01031142 141.3
[M]- 204.01140858 141.3
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