CID 21200855

90315-90-5

Structural Information

Molecular Formula
C7H5Cl3O
SMILES
C1=CC(=CC=C1C(Cl)(Cl)Cl)O
InChI
InChI=1S/C7H5Cl3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
InChIKey
GCRKDRWQBLESLI-UHFFFAOYSA-N
Compound name
4-(trichloromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

325
Patents

209.9406 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.94788 136.5
[M+Na]+ 232.92982 146.7
[M-H]- 208.93332 137.6
[M+NH4]+ 227.97442 156.1
[M+K]+ 248.90376 140.9
[M+H-H2O]+ 192.93786 134.3
[M+HCOO]- 254.93880 143.7
[M+CH3COO]- 268.95445 180.1
[M+Na-2H]- 230.91527 142.8
[M]+ 209.94005 138.0
[M]- 209.94115 138.0
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

patents stripe