CID 57812365

1-(2,6-dichlorophenyl)propan-2-ol

Structural Information

Molecular Formula
C9H10Cl2O
SMILES
CC(CC1=C(C=CC=C1Cl)Cl)O
InChI
InChI=1S/C9H10Cl2O/c1-6(12)5-7-8(10)3-2-4-9(7)11/h2-4,6,12H,5H2,1H3
InChIKey
IBZNHQGQLNNWPH-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

204.01086 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01814 137.7
[M+Na]+ 227.00008 147.5
[M-H]- 203.00358 139.8
[M+NH4]+ 222.04468 157.9
[M+K]+ 242.97402 142.1
[M+H-H2O]+ 187.00812 134.6
[M+HCOO]- 249.00906 150.4
[M+CH3COO]- 263.02471 182.5
[M+Na-2H]- 224.98553 141.7
[M]+ 204.01031 140.3
[M]- 204.01141 140.3
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