CID 2578204

2,4-bis(difluoromethoxy)benzoic acid

Structural Information

Molecular Formula
C9H6F4O4
SMILES
C1=CC(=C(C=C1OC(F)F)OC(F)F)C(=O)O
InChI
InChI=1S/C9H6F4O4/c10-8(11)16-4-1-2-5(7(14)15)6(3-4)17-9(12)13/h1-3,8-9H,(H,14,15)
InChIKey
VLDZTQGAMWSOHD-UHFFFAOYSA-N
Compound name
2,4-bis(difluoromethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.02022 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02750 157.1
[M+Na]+ 277.00944 163.3
[M+NH4]+ 272.05404 159.9
[M+K]+ 292.98338 160.5
[M-H]- 253.01294 151.1
[M+Na-2H]- 274.99489 157.8
[M]+ 254.01967 155.6
[M]- 254.02077 155.6
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