CID 13815414

3-chlorocyclobutanecarboxylic acid

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

107
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 119.9
[M+Na]+ 157.00268 126.8
[M+NH4]+ 152.04728 124.6
[M+K]+ 172.97662 124.0
[M-H]- 133.00618 117.6
[M+Na-2H]- 154.98813 122.3
[M]+ 134.01291 119.2
[M]- 134.01401 119.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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