CID 59949948

91978-94-8

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

19
Patents

217.94978 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95706 135.1
[M+Na]+ 240.93900 141.1
[M+NH4]+ 235.98360 141.8
[M+K]+ 256.91294 139.1
[M-H]- 216.94250 137.0
[M+Na-2H]- 238.92445 140.4
[M]+ 217.94923 135.8
[M]- 217.95033 135.8
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