CID 3078705

122135-77-7

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]+ 297.04436 165.8
[M+Na]+ 319.02630 180.9
[M+NH4]+ 314.07090 174.4
[M+K]+ 335.00024 173.2
[M-H]- 295.02980 169.0
[M+Na-2H]- 317.01175 174.1
[M]+ 296.03653 169.6
[M]- 296.03763 169.6
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.