CID 4384088

Ar-m 7 3-methylphenanthro(3,4-c)phenanthrene

Structural Information

Molecular Formula
C27H18
SMILES
CC1=CC2=C(C3=C(C=CC4=CC=CC=C43)C=C2)C5=C1C=CC6=CC=CC=C65
InChI
InChI=1S/C27H18/c1-17-16-21-13-12-20-11-10-18-6-2-4-8-23(18)25(20)26(21)27-22(17)15-14-19-7-3-5-9-24(19)27/h2-16H,1H3
InChIKey
NYCMZBHQDRJVRZ-UHFFFAOYSA-N
Compound name
7-methylhexahelicene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

342.14084 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14812 181.8
[M+Na]+ 365.13006 193.4
[M-H]- 341.13356 190.2
[M+NH4]+ 360.17466 199.6
[M+K]+ 381.10400 183.9
[M+H-H2O]+ 325.13810 170.6
[M+HCOO]- 387.13904 200.4
[M+CH3COO]- 401.15469 193.0
[M+Na-2H]- 363.11551 192.2
[M]+ 342.14029 184.5
[M]- 342.14139 184.5
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