CID 41018

(2,3,5-trichlorophenyl)methanol

Structural Information

Molecular Formula
C7H5Cl3O
SMILES
C1=C(C=C(C(=C1CO)Cl)Cl)Cl
InChI
InChI=1S/C7H5Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3H2
InChIKey
MKERQGLKSFEKAE-UHFFFAOYSA-N
Compound name
(2,3,5-trichlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

209.9406 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.94788 136.3
[M+Na]+ 232.92982 152.0
[M+NH4]+ 227.97442 145.9
[M+K]+ 248.90376 143.8
[M-H]- 208.93332 138.3
[M+Na-2H]- 230.91527 143.7
[M]+ 209.94005 140.1
[M]- 209.94115 140.1
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