CID 60112680

3-bromo-4'-methylbiphenyl

Structural Information

Molecular Formula
C13H11Br
SMILES
CC1=C(C=C(C=C1)C2=CC=CC=C2)Br
InChI
InChI=1S/C13H11Br/c1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
BVTFEWBUBJTNHZ-UHFFFAOYSA-N
Compound name
2-bromo-1-methyl-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

246.00441 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01169 146.1
[M+Na]+ 268.99363 157.9
[M-H]- 244.99713 155.6
[M+NH4]+ 264.03823 167.3
[M+K]+ 284.96757 146.2
[M+H-H2O]+ 229.00167 146.0
[M+HCOO]- 291.00261 168.3
[M+CH3COO]- 305.01826 161.7
[M+Na-2H]- 266.97908 154.2
[M]+ 246.00386 164.3
[M]- 246.00496 164.3
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