CID 15166401

50837-53-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
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

literature stripe

Patent stripe

patents stripe