CID 5051698

5-bromo-7-methyltetraphene

Structural Information

Molecular Formula
C19H13Br
SMILES
CC1=C2C=C(C3=CC=CC=C3C2=CC4=CC=CC=C14)Br
InChI
InChI=1S/C19H13Br/c1-12-14-7-3-2-6-13(14)10-18-15-8-4-5-9-16(15)19(20)11-17(12)18/h2-11H,1H3
InChIKey
MYGCBDBXUBMXLQ-UHFFFAOYSA-N
Compound name
5-bromo-7-methylbenzo[a]anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.02005 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.02733 168.5
[M+Na]+ 343.00927 182.2
[M-H]- 319.01277 177.8
[M+NH4]+ 338.05387 189.8
[M+K]+ 358.98321 169.0
[M+H-H2O]+ 303.01731 167.6
[M+HCOO]- 365.01825 187.6
[M+CH3COO]- 379.03390 182.9
[M+Na-2H]- 340.99472 178.4
[M]+ 320.01950 188.7
[M]- 320.02060 188.7
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

No patent data available for this compound.