CID 2734604

1-(bromomethyl)-2,4-dimethylbenzene

Structural Information

Molecular Formula
C9H11Br
SMILES
CC1=CC(=C(C=C1)CBr)C
InChI
InChI=1S/C9H11Br/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,6H2,1-2H3
InChIKey
WGLUZJWOTTXZIC-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

305
Patents

198.00441 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01169 133.3
[M+Na]+ 220.99363 138.3
[M+NH4]+ 216.03823 139.6
[M+K]+ 236.96757 137.0
[M-H]- 196.99713 135.1
[M+Na-2H]- 218.97908 138.3
[M]+ 198.00386 133.5
[M]- 198.00496 133.5
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