CID 257716

1,1'-biphenyl, 4-(bromomethyl)-

Structural Information

Molecular Formula
C13H11Br
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CBr
InChI
InChI=1S/C13H11Br/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey
HZQLUIZFUXNFHK-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1900
Patents

246.00441 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01169 146.6
[M+Na]+ 268.99363 157.6
[M-H]- 244.99713 155.8
[M+NH4]+ 264.03823 167.6
[M+K]+ 284.96757 145.9
[M+H-H2O]+ 229.00167 146.5
[M+HCOO]- 291.00261 168.9
[M+CH3COO]- 305.01826 161.9
[M+Na-2H]- 266.97908 155.4
[M]+ 246.00386 164.5
[M]- 246.00496 164.5
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