CID 165950540

2,6-dichloro-3-(difluoromethyl)benzoic acid

Structural Information

Molecular Formula
C8H4Cl2F2O2
SMILES
C1=CC(=C(C(=C1C(F)F)Cl)C(=O)O)Cl
InChI
InChI=1S/C8H4Cl2F2O2/c9-4-2-1-3(7(11)12)6(10)5(4)8(13)14/h1-2,7H,(H,13,14)
InChIKey
YBXMFVNJKFBQPT-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-(difluoromethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.95564 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.96292 136.6
[M+Na]+ 262.94486 147.8
[M-H]- 238.94836 136.7
[M+NH4]+ 257.98946 155.4
[M+K]+ 278.91880 142.4
[M+H-H2O]+ 222.95290 132.2
[M+HCOO]- 284.95384 147.3
[M+CH3COO]- 298.96949 188.0
[M+Na-2H]- 260.93031 138.5
[M]+ 239.95509 137.5
[M]- 239.95619 137.5
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.