CID 12676497

76557-95-4

Structural Information

Molecular Formula
C8H6BrCl
SMILES
C1=CC(=CC(=C1)Cl)/C=C\Br
InChI
InChI=1S/C8H6BrCl/c9-5-4-7-2-1-3-8(10)6-7/h1-6H/b5-4-
InChIKey
CDPDVBVBLJTZEI-PLNGDYQASA-N
Compound name
1-[(Z)-2-bromoethenyl]-3-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.93414 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94142 133.7
[M+Na]+ 238.92336 147.2
[M-H]- 214.92686 140.2
[M+NH4]+ 233.96796 157.1
[M+K]+ 254.89730 133.9
[M+H-H2O]+ 198.93140 135.5
[M+HCOO]- 260.93234 152.0
[M+CH3COO]- 274.94799 182.5
[M+Na-2H]- 236.90881 142.6
[M]+ 215.93359 153.4
[M]- 215.93469 153.4
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

No patent data available for this compound.