CID 154879042

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

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 145.6
[M+Na]+ 276.98347 159.2
[M-H]- 252.98697 154.9
[M+NH4]+ 272.02807 161.7
[M+K]+ 292.95741 147.1
[M+H-H2O]+ 236.99151 145.4
[M+HCOO]- 298.99245 165.7
[M+CH3COO]- 313.00810 193.6
[M+Na-2H]- 274.96892 150.7
[M]+ 253.99370 165.9
[M]- 253.99480 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

patents stripe