CID 3078705

1,2-propanediol, 1,1-bis(4-chlorophenyl)-

Structural Information

Molecular Formula
C15H14Cl2O2
SMILES
CC(C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O)O
InChI
InChI=1S/C15H14Cl2O2/c1-10(18)15(19,11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10,18-19H,1H3
InChIKey
QMKPIWKXLXVQEI-UHFFFAOYSA-N
Compound name
1,1-bis(4-chlorophenyl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.03708 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.044356 162.0
[M+Na]+ 319.026298 170.5
[M-H]- 295.029804 165.8
[M+NH4]+ 314.070903 177.5
[M+K]+ 335.000238 163.7
[M+H-H2O]+ 279.034340 157.4
[M+HCOO]- 341.035281 171.4
[M+CH3COO]- 355.050931 195.8
[M+Na-2H]- 317.011746 165.7
[M]+ 296.03653142 164.0
[M]- 296.03762858 164.0
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.