CID 59949948

2-(bromomethyl)-1-chloro-4-methylbenzene

Structural Information

Molecular Formula
C8H8BrCl
SMILES
CC1=CC(=C(C=C1)Cl)CBr
InChI
InChI=1S/C8H8BrCl/c1-6-2-3-8(10)7(4-6)5-9/h2-4H,5H2,1H3
InChIKey
POHFEJVKQQYINK-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-chloro-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

217.94978 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.957056 134.3
[M+Na]+ 240.938998 148.2
[M-H]- 216.942504 141.1
[M+NH4]+ 235.983603 157.9
[M+K]+ 256.912938 135.5
[M+H-H2O]+ 200.947040 136.1
[M+HCOO]- 262.947981 152.3
[M+CH3COO]- 276.963631 185.0
[M+Na-2H]- 238.924446 142.4
[M]+ 217.94923142 154.9
[M]- 217.95032858 154.9
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