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]+ 230.99741 137.2
[M+Na]+ 252.97935 148.6
[M-H]- 228.98285 143.3
[M+NH4]+ 248.02395 153.1
[M+K]+ 268.95329 143.5
[M+H-H2O]+ 212.98739 134.0
[M+HCOO]- 274.98833 150.6
[M+CH3COO]- 289.00398 187.8
[M+Na-2H]- 250.96480 142.7
[M]+ 229.98958 142.4
[M]- 229.99068 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