CID 49757981

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

217.94978 Da
Monoisotopic Mass

4.0
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

literature stripe

Patent stripe

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