CID 66520908

1353855-70-5

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

3
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 136.4
[M+Na]+ 252.93900 151.4
[M-H]- 228.94250 146.6
[M+NH4]+ 247.98360 154.8
[M+K]+ 268.91294 138.6
[M+H-H2O]+ 212.94704 137.0
[M+HCOO]- 274.94798 154.8
[M+CH3COO]- 288.96363 152.4
[M+Na-2H]- 250.92445 144.4
[M]+ 229.94923 157.5
[M]- 229.95033 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