CID 57842713

943742-24-3

Structural Information

Molecular Formula
C8H6BrCl
SMILES
C=CC1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C8H6BrCl/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
InChIKey
XTTULBAZGVTKMB-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-1-ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

215.93414 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94142 132.7
[M+Na]+ 238.92336 146.9
[M-H]- 214.92686 139.6
[M+NH4]+ 233.96796 156.3
[M+K]+ 254.89730 133.7
[M+H-H2O]+ 198.93140 134.6
[M+HCOO]- 260.93234 150.9
[M+CH3COO]- 274.94799 184.1
[M+Na-2H]- 236.90881 140.9
[M]+ 215.93359 152.7
[M]- 215.93469 152.7
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