CID 609355

9,10-bis(bromomethyl)anthracene

Structural Information

Molecular Formula
C16H12Br2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CBr)CBr
InChI
InChI=1S/C16H12Br2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,9-10H2
InChIKey
YHEMDXGFCREMGG-UHFFFAOYSA-N
Compound name
9,10-bis(bromomethyl)anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

361.93057 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.93785 159.0
[M+Na]+ 384.91979 170.5
[M-H]- 360.92329 167.2
[M+NH4]+ 379.96439 178.0
[M+K]+ 400.89373 154.9
[M+H-H2O]+ 344.92783 167.3
[M+HCOO]- 406.92877 174.4
[M+CH3COO]- 420.94442 172.6
[M+Na-2H]- 382.90524 167.7
[M]+ 361.93002 194.5
[M]- 361.93112 194.5
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