CID 83730191

1314661-28-3

Structural Information

Molecular Formula
C11H11BrO2
SMILES
CC1=C(C=C(C=C1)C2(CC2)C(=O)O)Br
InChI
InChI=1S/C11H11BrO2/c1-7-2-3-8(6-9(7)12)11(4-5-11)10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKey
OKTGSTQCEKHALZ-UHFFFAOYSA-N
Compound name
1-(3-bromo-4-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 145.7
[M+Na]+ 276.98347 159.1
[M-H]- 252.98697 155.0
[M+NH4]+ 272.02807 163.3
[M+K]+ 292.95741 148.1
[M+H-H2O]+ 236.99151 146.6
[M+HCOO]- 298.99245 165.6
[M+CH3COO]- 313.00810 192.1
[M+Na-2H]- 274.96892 152.4
[M]+ 253.99370 166.2
[M]- 253.99480 166.2
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.