CID 62670384

1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol

Structural Information

Molecular Formula
C9H8BrClO
SMILES
C1CC1(C2=C(C=CC(=C2)Br)Cl)O
InChI
InChI=1S/C9H8BrClO/c10-6-1-2-8(11)7(5-6)9(12)3-4-9/h1-2,5,12H,3-4H2
InChIKey
NFAVBIVVAPVVRC-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-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]+ 246.951996 138.2
[M+Na]+ 268.933938 153.2
[M-H]- 244.937444 147.5
[M+NH4]+ 263.978543 157.1
[M+K]+ 284.907878 140.7
[M+H-H2O]+ 228.941980 140.0
[M+HCOO]- 290.942921 155.1
[M+CH3COO]- 304.958571 188.4
[M+Na-2H]- 266.919386 146.8
[M]+ 245.94417142 159.5
[M]- 245.94526858 159.5
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.