CID 165811346

Rac-(1r,2r)-2-(4-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H11BrO2
SMILES
CC1=C(C=CC(=C1)Br)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C11H11BrO2/c1-6-4-7(12)2-3-8(6)9-5-10(9)11(13)14/h2-4,9-10H,5H2,1H3,(H,13,14)/t9-,10+/m0/s1
InChIKey
JMIHQCUNBBOKMU-VHSXEESVSA-N
Compound name
trans-(1R,2R)-2-(4-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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.001526 145.6
[M+Na]+ 276.983468 159.2
[M-H]- 252.986974 154.9
[M+NH4]+ 272.028073 161.7
[M+K]+ 292.957408 147.1
[M+H-H2O]+ 236.991510 145.4
[M+HCOO]- 298.992451 165.7
[M+CH3COO]- 313.008101 193.6
[M+Na-2H]- 274.968916 150.7
[M]+ 253.99370142 165.9
[M]- 253.99479858 165.9
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.