CID 2967031

4-(2,2-dichlorocyclopropyl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

229.99013 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.997406 137.2
[M+Na]+ 252.979348 148.6
[M-H]- 228.982854 143.3
[M+NH4]+ 248.023953 153.1
[M+K]+ 268.953288 143.5
[M+H-H2O]+ 212.987390 134.0
[M+HCOO]- 274.988331 150.6
[M+CH3COO]- 289.003981 187.8
[M+Na-2H]- 250.964796 142.7
[M]+ 229.98958142 142.4
[M]- 229.99067858 142.4
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