CID 12875470

1-[bromo(phenyl)methyl]-2-methylbenzene

Structural Information

Molecular Formula
C14H13Br
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)Br
InChI
InChI=1S/C14H13Br/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14H,1H3
InChIKey
CDVGBAUAPNIFPX-UHFFFAOYSA-N
Compound name
1-[bromo(phenyl)methyl]-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

260.02005 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02733 151.9
[M+Na]+ 283.00927 162.1
[M-H]- 259.01277 160.9
[M+NH4]+ 278.05387 172.2
[M+K]+ 298.98321 150.5
[M+H-H2O]+ 243.01731 151.5
[M+HCOO]- 305.01825 172.8
[M+CH3COO]- 319.03390 193.9
[M+Na-2H]- 280.99472 158.8
[M]+ 260.01950 169.4
[M]- 260.02060 169.4
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