CID 16227966

1-(4-bromophenyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C10H9BrO2
SMILES
C1CC1(C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C10H9BrO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey
BYJIXWOWTNEVFO-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

531
Patents

239.97859 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98587 137.4
[M+Na]+ 262.96781 142.4
[M+NH4]+ 258.01241 144.2
[M+K]+ 278.94175 142.5
[M-H]- 238.97131 144.7
[M+Na-2H]- 260.95326 145.5
[M]+ 239.97804 140.2
[M]- 239.97914 140.2
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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