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]+ 246.95200 138.2
[M+Na]+ 268.93394 153.2
[M-H]- 244.93744 147.5
[M+NH4]+ 263.97854 157.1
[M+K]+ 284.90788 140.7
[M+H-H2O]+ 228.94198 140.0
[M+HCOO]- 290.94292 155.1
[M+CH3COO]- 304.95857 188.4
[M+Na-2H]- 266.91939 146.8
[M]+ 245.94417 159.5
[M]- 245.94527 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.