CID 53439787

915185-89-6

Structural Information

Molecular Formula
C5H6Cl2O2
SMILES
C1C(CC1(Cl)Cl)C(=O)O
InChI
InChI=1S/C5H6Cl2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9)
InChIKey
KOSPRUCYJNWOHU-UHFFFAOYSA-N
Compound name
3,3-dichlorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

167.97449 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.98177 121.2
[M+Na]+ 190.96371 130.1
[M-H]- 166.96721 123.4
[M+NH4]+ 186.00831 138.1
[M+K]+ 206.93765 128.8
[M+H-H2O]+ 150.97175 115.7
[M+HCOO]- 212.97269 133.0
[M+CH3COO]- 226.98834 176.5
[M+Na-2H]- 188.94916 126.9
[M]+ 167.97394 130.8
[M]- 167.97504 130.8
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