CID 58007571

4-bromo-1-chloro-2-cyclopropoxybenzene

Structural Information

Molecular Formula
C9H8BrClO
SMILES
C1CC1OC2=C(C=CC(=C2)Br)Cl
InChI
InChI=1S/C9H8BrClO/c10-6-1-4-8(11)9(5-6)12-7-2-3-7/h1,4-5,7H,2-3H2
InChIKey
YRKRIHVMCHWRAE-UHFFFAOYSA-N
Compound name
4-bromo-1-chloro-2-cyclopropyloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

245.94472 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.951996 139.9
[M+Na]+ 268.933938 154.7
[M-H]- 244.937444 150.1
[M+NH4]+ 263.978543 157.6
[M+K]+ 284.907878 142.2
[M+H-H2O]+ 228.941980 140.3
[M+HCOO]- 290.942921 158.4
[M+CH3COO]- 304.958571 191.1
[M+Na-2H]- 266.919386 147.8
[M]+ 245.94417142 162.3
[M]- 245.94526858 162.3
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