CID 3275588

2,2-dichloro-1-phenylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H8Cl2O2
SMILES
C1C(C1(Cl)Cl)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C10H8Cl2O2/c11-10(12)6-9(10,8(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKey
YCXKWZHLCOEWAG-UHFFFAOYSA-N
Compound name
2,2-dichloro-1-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

229.99013 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.997406 137.7
[M+Na]+ 252.979348 148.9
[M-H]- 228.982854 143.9
[M+NH4]+ 248.023953 155.2
[M+K]+ 268.953288 144.8
[M+H-H2O]+ 212.987390 135.3
[M+HCOO]- 274.988331 150.8
[M+CH3COO]- 289.003981 186.5
[M+Na-2H]- 250.964796 144.8
[M]+ 229.98958142 142.9
[M]- 229.99067858 142.9
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