CID 81307393

1-(4-bromo-3-chlorophenyl)cyclopropan-1-ol

Structural Information

Molecular Formula
C9H8BrClO
SMILES
C1CC1(C2=CC(=C(C=C2)Br)Cl)O
InChI
InChI=1S/C9H8BrClO/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5,12H,3-4H2
InChIKey
NNNWVJWNPWXSRE-UHFFFAOYSA-N
Compound name
1-(4-bromo-3-chlorophenyl)cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.94472 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95200 135.5
[M+Na]+ 268.93394 142.3
[M+NH4]+ 263.97854 143.4
[M+K]+ 284.90788 141.0
[M-H]- 244.93744 143.6
[M+Na-2H]- 266.91939 144.5
[M]+ 245.94417 139.2
[M]- 245.94527 139.2
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.