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

310
Patents

198.00441 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.011686 133.6
[M+Na]+ 220.993628 146.1
[M-H]- 196.997134 140.5
[M+NH4]+ 216.038233 157.2
[M+K]+ 236.967568 135.3
[M+H-H2O]+ 181.001670 134.5
[M+HCOO]- 243.002611 155.7
[M+CH3COO]- 257.018261 184.2
[M+Na-2H]- 218.979076 141.6
[M]+ 198.00386142 152.8
[M]- 198.00495858 152.8
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