CID 41018

Benzene, 1,2,5-trichloro-3-methoxy-

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 134.5
[M+Na]+ 232.92982 146.0
[M-H]- 208.93332 135.8
[M+NH4]+ 227.97442 154.5
[M+K]+ 248.90376 139.9
[M+H-H2O]+ 192.93786 132.5
[M+HCOO]- 254.93880 143.3
[M+CH3COO]- 268.95445 182.6
[M+Na-2H]- 230.91527 139.0
[M]+ 209.94005 137.2
[M]- 209.94115 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