CID 14718808

3-(bromomethyl)-2-methyl-1,1'-biphenyl

Structural Information

Molecular Formula
C14H13Br
SMILES
CC1=C(C=CC=C1C2=CC=CC=C2)CBr
InChI
InChI=1S/C14H13Br/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKey
UTCWKKQFHHVEPP-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-methyl-3-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
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 150.8
[M+Na]+ 283.00927 162.2
[M-H]- 259.01277 160.1
[M+NH4]+ 278.05387 171.5
[M+K]+ 298.98321 150.2
[M+H-H2O]+ 243.01731 150.5
[M+HCOO]- 305.01825 172.7
[M+CH3COO]- 319.03390 194.1
[M+Na-2H]- 280.99472 158.3
[M]+ 260.01950 169.3
[M]- 260.02060 169.3
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