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

17
Patents

245.94472 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95200 139.9
[M+Na]+ 268.93394 154.7
[M-H]- 244.93744 150.1
[M+NH4]+ 263.97854 157.6
[M+K]+ 284.90788 142.2
[M+H-H2O]+ 228.94198 140.3
[M+HCOO]- 290.94292 158.4
[M+CH3COO]- 304.95857 191.1
[M+Na-2H]- 266.91939 147.8
[M]+ 245.94417 162.3
[M]- 245.94527 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