CID 3699961

2-chloro-6-fluoro-3-methoxybenzoic acid

Structural Information

Molecular Formula
C8H6ClFO3
SMILES
COC1=C(C(=C(C=C1)F)C(=O)O)Cl
InChI
InChI=1S/C8H6ClFO3/c1-13-5-3-2-4(10)6(7(5)9)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey
UXTMPKFTDKMFOF-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

203.99895 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.00623 135.9
[M+Na]+ 226.98817 148.6
[M+NH4]+ 222.03277 143.2
[M+K]+ 242.96211 143.3
[M-H]- 202.99167 135.4
[M+Na-2H]- 224.97362 141.2
[M]+ 203.99840 137.7
[M]- 203.99950 137.7
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