CID 13815414

35207-71-7

Structural Information

Molecular Formula
C5H7ClO2
SMILES
C1C(CC1Cl)C(=O)O
InChI
InChI=1S/C5H7ClO2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2H2,(H,7,8)
InChIKey
UJPLLCVUUMDULO-UHFFFAOYSA-N
Compound name
3-chlorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

134.01346 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02074 118.4
[M+Na]+ 157.00268 125.9
[M-H]- 133.00618 120.9
[M+NH4]+ 152.04728 134.2
[M+K]+ 172.97662 126.5
[M+H-H2O]+ 117.01072 110.4
[M+HCOO]- 179.01166 134.8
[M+CH3COO]- 193.02731 172.1
[M+Na-2H]- 154.98813 123.4
[M]+ 134.01291 126.9
[M]- 134.01401 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe