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 162.0
[M+Na]+ 319.02630 170.5
[M-H]- 295.02980 165.8
[M+NH4]+ 314.07090 177.5
[M+K]+ 335.00024 163.7
[M+H-H2O]+ 279.03434 157.4
[M+HCOO]- 341.03528 171.4
[M+CH3COO]- 355.05093 195.8
[M+Na-2H]- 317.01175 165.7
[M]+ 296.03653 164.0
[M]- 296.03763 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.