CID 83823717

1697535-42-4

Structural Information

Molecular Formula
C11H10ClFO2
SMILES
C1CC1(CC2=CC(=C(C=C2)Cl)F)C(=O)O
InChI
InChI=1S/C11H10ClFO2/c12-8-2-1-7(5-9(8)13)6-11(3-4-11)10(14)15/h1-2,5H,3-4,6H2,(H,14,15)
InChIKey
PBAOMBZKYJNRLW-UHFFFAOYSA-N
Compound name
1-[(4-chloro-3-fluorophenyl)methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.03534 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04262 139.2
[M+Na]+ 251.02456 150.2
[M-H]- 227.02806 144.6
[M+NH4]+ 246.06916 154.8
[M+K]+ 266.99850 145.6
[M+H-H2O]+ 211.03260 134.1
[M+HCOO]- 273.03354 156.1
[M+CH3COO]- 287.04919 188.7
[M+Na-2H]- 249.01001 144.3
[M]+ 228.03479 142.8
[M]- 228.03589 142.8
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.