CID 145867060

1-(3,5-dichlorophenyl)-3,3-difluorocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C11H8Cl2F2O2
SMILES
C1C(CC1(F)F)(C2=CC(=CC(=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C11H8Cl2F2O2/c12-7-1-6(2-8(13)3-7)10(9(16)17)4-11(14,15)5-10/h1-3H,4-5H2,(H,16,17)
InChIKey
ZNEWLMZZAKYYCD-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorophenyl)-3,3-difluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.98694 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.99422 144.8
[M+Na]+ 302.97616 155.6
[M-H]- 278.97966 148.0
[M+NH4]+ 298.02076 159.6
[M+K]+ 318.95010 152.0
[M+H-H2O]+ 262.98420 136.9
[M+HCOO]- 324.98514 154.4
[M+CH3COO]- 339.00079 196.4
[M+Na-2H]- 300.96161 148.7
[M]+ 279.98639 153.8
[M]- 279.98749 153.8
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.