CID 59806710

5,9-dibromo-7,7-dimethyl-7h-benzo[c]fluorene

Structural Information

Molecular Formula
C19H14Br2
SMILES
CC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C4=CC=CC=C43)Br)C
InChI
InChI=1S/C19H14Br2/c1-19(2)15-9-11(20)7-8-14(15)18-13-6-4-3-5-12(13)17(21)10-16(18)19/h3-10H,1-2H3
InChIKey
VYTHKOHPRYCPON-UHFFFAOYSA-N
Compound name
5,9-dibromo-7,7-dimethylbenzo[c]fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

399.94623 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.95351 174.9
[M+Na]+ 422.93545 187.8
[M-H]- 398.93895 184.4
[M+NH4]+ 417.98005 196.7
[M+K]+ 438.90939 172.3
[M+H-H2O]+ 382.94349 183.7
[M+HCOO]- 444.94443 188.9
[M+CH3COO]- 458.96008 188.3
[M+Na-2H]- 420.92090 180.6
[M]+ 399.94568 210.5
[M]- 399.94678 210.5
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

patents stripe