CID 154879042

2227843-57-2

Structural Information

Molecular Formula
C11H11BrO2
SMILES
CC1=CC(=C(C=C1)[C@@H]2C[C@H]2C(=O)O)Br
InChI
InChI=1S/C11H11BrO2/c1-6-2-3-7(10(12)4-6)8-5-9(8)11(13)14/h2-4,8-9H,5H2,1H3,(H,13,14)/t8-,9+/m0/s1
InChIKey
HHXZNQACCZQPRP-DTWKUNHWSA-N
Compound name
(1R,2R)-2-(2-bromo-4-methylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.99425 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00153 138.0
[M+Na]+ 276.98347 143.3
[M+NH4]+ 272.02807 143.5
[M+K]+ 292.95741 145.0
[M-H]- 252.98697 145.2
[M+Na-2H]- 274.96892 144.4
[M]+ 253.99370 140.6
[M]- 253.99480 140.6
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

patents stripe