CID 146155182

Rac-(1r,2r)-2-(2-chloro-4-iodophenyl)-1-fluorocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H7ClFIO2
SMILES
C1[C@@H]([C@]1(C(=O)O)F)C2=C(C=C(C=C2)I)Cl
InChI
InChI=1S/C10H7ClFIO2/c11-8-3-5(13)1-2-6(8)7-4-10(7,12)9(14)15/h1-3,7H,4H2,(H,14,15)/t7-,10-/m1/s1
InChIKey
JJJWTKCAYLIJQY-GMSGAONNSA-N
Compound name
(1R,2R)-2-(2-chloro-4-iodophenyl)-1-fluorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.91632 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.92360 144.5
[M+Na]+ 362.90554 149.4
[M-H]- 338.90904 143.4
[M+NH4]+ 357.95014 155.6
[M+K]+ 378.87948 150.5
[M+H-H2O]+ 322.91358 136.3
[M+HCOO]- 384.91452 156.9
[M+CH3COO]- 398.93017 197.4
[M+Na-2H]- 360.89099 137.9
[M]+ 339.91577 145.6
[M]- 339.91687 145.6
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

No patent data available for this compound.