CID 96881

630-71-7

Structural Information

Molecular Formula
C14H9Cl2F3O
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(F)(F)F)O)Cl
InChI
InChI=1S/C14H9Cl2F3O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
InChIKey
LARLSBWABHVOTC-UHFFFAOYSA-N
Compound name
1,1-bis(4-chlorophenyl)-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

913
Patents

319.99826 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00554 162.3
[M+Na]+ 342.98748 172.7
[M-H]- 318.99098 163.7
[M+NH4]+ 338.03208 177.6
[M+K]+ 358.96142 164.9
[M+H-H2O]+ 302.99552 154.8
[M+HCOO]- 364.99646 169.6
[M+CH3COO]- 379.01211 200.3
[M+Na-2H]- 340.97293 167.1
[M]+ 319.99771 161.1
[M]- 319.99881 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe