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 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.