CID 17019

9-(bromomethyl)anthracene

Structural Information

Molecular Formula
C15H11Br
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CBr
InChI
InChI=1S/C15H11Br/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
InChIKey
KOWKPLCVFRHICH-UHFFFAOYSA-N
Compound name
9-(bromomethyl)anthracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

217
Patents

270.00443 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.01171 152.7
[M+Na]+ 292.99365 165.8
[M-H]- 268.99715 161.1
[M+NH4]+ 288.03825 175.0
[M+K]+ 308.96759 153.2
[M+H-H2O]+ 253.00169 152.8
[M+HCOO]- 315.00263 173.8
[M+CH3COO]- 329.01828 168.0
[M+Na-2H]- 290.97910 163.8
[M]+ 270.00388 172.7
[M]- 270.00498 172.7
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

patents stripe