CID 16227138

923675-42-7

Structural Information

Molecular Formula
C8H5Cl2F3O
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(C(F)(F)F)O
InChI
InChI=1S/C8H5Cl2F3O/c9-5-3-1-2-4(6(5)10)7(14)8(11,12)13/h1-3,7,14H
InChIKey
OMBRXWOUGCBKOA-UHFFFAOYSA-N
Compound name
1-(2,3-dichlorophenyl)-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

243.96695 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.97423 138.7
[M+Na]+ 266.95617 149.5
[M-H]- 242.95967 137.2
[M+NH4]+ 262.00077 157.3
[M+K]+ 282.93011 143.6
[M+H-H2O]+ 226.96421 133.3
[M+HCOO]- 288.96515 147.2
[M+CH3COO]- 302.98080 187.3
[M+Na-2H]- 264.94162 142.4
[M]+ 243.96640 137.2
[M]- 243.96750 137.2
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

patents stripe