CID 17750730

2,6-dichloro-4-(trifluoromethoxy)benzoic acid

Structural Information

Molecular Formula
C8H3Cl2F3O3
SMILES
C1=C(C=C(C(=C1Cl)C(=O)O)Cl)OC(F)(F)F
InChI
InChI=1S/C8H3Cl2F3O3/c9-4-1-3(16-8(11,12)13)2-5(10)6(4)7(14)15/h1-2H,(H,14,15)
InChIKey
HJBCPDRNEWTQCH-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(trifluoromethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.94113 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.94841 142.1
[M+Na]+ 296.93035 153.9
[M-H]- 272.93385 141.2
[M+NH4]+ 291.97495 159.6
[M+K]+ 312.90429 148.7
[M+H-H2O]+ 256.93839 136.8
[M+HCOO]- 318.93933 151.4
[M+CH3COO]- 332.95498 191.6
[M+Na-2H]- 294.91580 145.5
[M]+ 273.94058 143.2
[M]- 273.94168 143.2
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

No patent data available for this compound.