CID 167739164

Rac-(1r,2r)-2-(2-bromo-6-chlorophenyl)cyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C10H8BrClO
SMILES
C1[C@H]([C@@H]1C2=C(C=CC=C2Br)Cl)C=O
InChI
InChI=1S/C10H8BrClO/c11-8-2-1-3-9(12)10(8)7-4-6(7)5-13/h1-3,5-7H,4H2/t6-,7+/m0/s1
InChIKey
CMTUHJOCADSWFL-NKWVEPMBSA-N
Compound name
(1R,2R)-2-(2-bromo-6-chlorophenyl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.9447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.95198 142.6
[M+Na]+ 280.93392 158.1
[M-H]- 256.93742 153.0
[M+NH4]+ 275.97852 160.1
[M+K]+ 296.90786 144.8
[M+H-H2O]+ 240.94196 143.1
[M+HCOO]- 302.94290 160.9
[M+CH3COO]- 316.95855 194.0
[M+Na-2H]- 278.91937 149.4
[M]+ 257.94415 165.1
[M]- 257.94525 165.1
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.