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

318
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 133.6
[M+Na]+ 220.99363 146.1
[M-H]- 196.99713 140.5
[M+NH4]+ 216.03823 157.2
[M+K]+ 236.96757 135.3
[M+H-H2O]+ 181.00167 134.5
[M+HCOO]- 243.00261 155.7
[M+CH3COO]- 257.01826 184.2
[M+Na-2H]- 218.97908 141.6
[M]+ 198.00386 152.8
[M]- 198.00496 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