CID 82648175

1314724-54-3

Structural Information

Molecular Formula
C11H11BrO2
SMILES
CC1=C(C=C(C=C1)Br)C2(CC2)C(=O)O
InChI
InChI=1S/C11H11BrO2/c1-7-2-3-8(12)6-9(7)11(4-5-11)10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKey
XHSQZTWZOINBCL-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.99425 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00153 140.3
[M+Na]+ 276.98347 145.5
[M+NH4]+ 272.02807 147.0
[M+K]+ 292.95741 145.6
[M-H]- 252.98697 147.7
[M+Na-2H]- 274.96892 148.1
[M]+ 253.99370 143.2
[M]- 253.99480 143.2
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

No patent data available for this compound.