CID 16824

Tricamba

Structural Information

Molecular Formula
C8H5Cl3O3
SMILES
COC1=C(C(=C(C=C1Cl)Cl)Cl)C(=O)O
InChI
InChI=1S/C8H5Cl3O3/c1-14-7-4(10)2-3(9)6(11)5(7)8(12)13/h2H,1H3,(H,12,13)
InChIKey
WCLDITPGPXSPGV-UHFFFAOYSA-N
Compound name
2,3,5-trichloro-6-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9655
Patents

253.93042 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.93770 141.1
[M+Na]+ 276.91964 153.0
[M-H]- 252.92314 143.0
[M+NH4]+ 271.96424 159.6
[M+K]+ 292.89358 147.8
[M+H-H2O]+ 236.92768 139.2
[M+HCOO]- 298.92862 149.4
[M+CH3COO]- 312.94427 190.5
[M+Na-2H]- 274.90509 143.6
[M]+ 253.92987 146.3
[M]- 253.93097 146.3
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