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 143.4
[M+Na]+ 252.97935 159.0
[M+NH4]+ 248.02395 154.2
[M+K]+ 268.95329 151.9
[M-H]- 228.98285 152.9
[M+Na-2H]- 250.96480 154.7
[M]+ 229.98958 150.2
[M]- 229.99068 150.2
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