CID 66520823

1-bromo-2-chloro-4-cyclopropylbenzene

Structural Information

Molecular Formula
C9H8BrCl
SMILES
C1CC1C2=CC(=C(C=C2)Br)Cl
InChI
InChI=1S/C9H8BrCl/c10-8-4-3-7(5-9(8)11)6-1-2-6/h3-6H,1-2H2
InChIKey
AHVYEOMHWKKXJH-UHFFFAOYSA-N
Compound name
1-bromo-2-chloro-4-cyclopropylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

229.94978 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95706 129.8
[M+Na]+ 252.93900 137.3
[M+NH4]+ 247.98360 137.3
[M+K]+ 268.91294 136.8
[M-H]- 228.94250 138.5
[M+Na-2H]- 250.92445 138.5
[M]+ 229.94923 133.6
[M]- 229.95033 133.6
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