CID 86057400

Unii-sj211700dz

Structural Information

Molecular Formula
C12H14Cl2O2
SMILES
C1CC1(C(CC2=CC=CC=C2Cl)(CO)O)Cl
InChI
InChI=1S/C12H14Cl2O2/c13-10-4-2-1-3-9(10)7-12(16,8-15)11(14)5-6-11/h1-4,15-16H,5-8H2
InChIKey
MAZROLLCBZWRLJ-UHFFFAOYSA-N
Compound name
2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

260.03708 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04436 146.8
[M+Na]+ 283.02630 156.4
[M-H]- 259.02980 151.0
[M+NH4]+ 278.07090 160.8
[M+K]+ 299.00024 150.7
[M+H-H2O]+ 243.03434 143.5
[M+HCOO]- 305.03528 157.3
[M+CH3COO]- 319.05093 190.3
[M+Na-2H]- 281.01175 153.3
[M]+ 260.03653 151.3
[M]- 260.03763 151.3
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

No patent data available for this compound.