CID 66520908

4-bromo-1-chloro-2-cyclopropylbenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.94978 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.957056 136.4
[M+Na]+ 252.938998 151.4
[M-H]- 228.942504 146.6
[M+NH4]+ 247.983603 154.8
[M+K]+ 268.912938 138.6
[M+H-H2O]+ 212.947040 137.0
[M+HCOO]- 274.947981 154.8
[M+CH3COO]- 288.963631 152.4
[M+Na-2H]- 250.924446 144.4
[M]+ 229.94923142 157.5
[M]- 229.95032858 157.5
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

patents stripe