CID 4379448

Ar-m 1 3-bromophenanthro(3,4-c)phenanthrene

Structural Information

Molecular Formula
C26H15Br
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=C5C(=C(C=C4C=C3)Br)C=CC6=CC=CC=C65
InChI
InChI=1S/C26H15Br/c27-23-15-19-12-11-18-10-9-16-5-1-3-7-20(16)24(18)25(19)26-21-8-4-2-6-17(21)13-14-22(23)26/h1-15H
InChIKey
AYDXUHGVVLGQLO-UHFFFAOYSA-N
Compound name
7-bromohexahelicene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

406.0357 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.04298 195.2
[M+Na]+ 429.02492 208.4
[M-H]- 405.02842 205.5
[M+NH4]+ 424.06952 213.7
[M+K]+ 444.99886 194.5
[M+H-H2O]+ 389.03296 191.5
[M+HCOO]- 451.03390 211.6
[M+CH3COO]- 465.04955 207.2
[M+Na-2H]- 427.01037 205.4
[M]+ 406.03515 215.0
[M]- 406.03625 215.0
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

patents stripe