CID 20223871

2-bromo-4-(1-bromoethyl)-1-methylbenzene

Structural Information

Molecular Formula
C9H10Br2
SMILES
CC1=C(C=C(C=C1)C(C)Br)Br
InChI
InChI=1S/C9H10Br2/c1-6-3-4-8(7(2)10)5-9(6)11/h3-5,7H,1-2H3
InChIKey
AQPXMAXXICECCZ-UHFFFAOYSA-N
Compound name
2-bromo-4-(1-bromoethyl)-1-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.91492 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.92220 138.8
[M+Na]+ 298.90414 150.0
[M-H]- 274.90764 145.9
[M+NH4]+ 293.94874 159.1
[M+K]+ 314.87808 134.8
[M+H-H2O]+ 258.91218 147.3
[M+HCOO]- 320.91312 154.6
[M+CH3COO]- 334.92877 202.4
[M+Na-2H]- 296.88959 145.3
[M]+ 275.91437 172.7
[M]- 275.91547 172.7
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