CID 3481573

3,6-bis(bromomethyl)phenanthrene

Structural Information

Molecular Formula
C16H12Br2
SMILES
C1=CC2=C(C=C(C=C2)CBr)C3=C1C=CC(=C3)CBr
InChI
InChI=1S/C16H12Br2/c17-9-11-1-3-13-5-6-14-4-2-12(10-18)8-16(14)15(13)7-11/h1-8H,9-10H2
InChIKey
YKIXTNAKDSOAPT-UHFFFAOYSA-N
Compound name
3,6-bis(bromomethyl)phenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.93057 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.93785 157.2
[M+Na]+ 384.91979 155.1
[M+NH4]+ 379.96439 160.7
[M+K]+ 400.89373 159.1
[M-H]- 360.92329 159.8
[M+Na-2H]- 382.90524 160.4
[M]+ 361.93002 156.8
[M]- 361.93112 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.