CID 2446545

5-bromo-6-(chloromethyl)-1,3-dioxaindane

Structural Information

Molecular Formula
C8H6BrClO2
SMILES
C1OC2=C(O1)C=C(C(=C2)CCl)Br
InChI
InChI=1S/C8H6BrClO2/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-2H,3-4H2
InChIKey
UOZXZWOFQWKKEZ-UHFFFAOYSA-N
Compound name
5-bromo-6-(chloromethyl)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

247.92397 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.93125 145.2
[M+Na]+ 270.91319 159.3
[M-H]- 246.91669 153.8
[M+NH4]+ 265.95779 167.6
[M+K]+ 286.88713 149.6
[M+H-H2O]+ 230.92123 147.3
[M+HCOO]- 292.92217 160.9
[M+CH3COO]- 306.93782 161.5
[M+Na-2H]- 268.89864 153.9
[M]+ 247.92342 167.8
[M]- 247.92452 167.8
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