CID 5077898

9-bromo-10-methylanthracene

Structural Information

Molecular Formula
C15H11Br
SMILES
CC1=C2C=CC=CC2=C(C3=CC=CC=C13)Br
InChI
InChI=1S/C15H11Br/c1-10-11-6-2-4-8-13(11)15(16)14-9-5-3-7-12(10)14/h2-9H,1H3
InChIKey
DSDGPRYUTYECJM-UHFFFAOYSA-N
Compound name
9-bromo-10-methylanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

270.00443 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.01171 152.5
[M+Na]+ 292.99365 166.4
[M-H]- 268.99715 161.2
[M+NH4]+ 288.03825 175.1
[M+K]+ 308.96759 153.9
[M+H-H2O]+ 253.00169 152.6
[M+HCOO]- 315.00263 173.6
[M+CH3COO]- 329.01828 168.1
[M+Na-2H]- 290.97910 163.0
[M]+ 270.00388 172.9
[M]- 270.00498 172.9
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