CID 176470

1,6-dibromopyrene

Structural Information

Molecular Formula
C16H8Br2
SMILES
C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)Br)Br
InChI
InChI=1S/C16H8Br2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H
InChIKey
JRCJYPMNBNNCFE-UHFFFAOYSA-N
Compound name
1,6-dibromopyrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1775
Patents

357.8993 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.90658 157.9
[M+Na]+ 380.88852 169.6
[M-H]- 356.89202 166.0
[M+NH4]+ 375.93312 178.0
[M+K]+ 396.86246 155.0
[M+H-H2O]+ 340.89656 166.1
[M+HCOO]- 402.89750 172.0
[M+CH3COO]- 416.91315 171.6
[M+Na-2H]- 378.87397 167.9
[M]+ 357.89875 193.9
[M]- 357.89985 193.9
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