CID 59629661

3-bromo-9,9-dimethyl-9h-fluorene

Structural Information

Molecular Formula
C15H13Br
SMILES
CC1(C2=C(C=C(C=C2)Br)C3=CC=CC=C31)C
InChI
InChI=1S/C15H13Br/c1-15(2)13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)15/h3-9H,1-2H3
InChIKey
VECLPBKDHAALGQ-UHFFFAOYSA-N
Compound name
3-bromo-9,9-dimethylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

539
Patents

272.02005 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.02733 157.3
[M+Na]+ 295.00927 171.6
[M-H]- 271.01277 166.2
[M+NH4]+ 290.05387 183.6
[M+K]+ 310.98321 159.1
[M+H-H2O]+ 255.01731 158.4
[M+HCOO]- 317.01825 178.0
[M+CH3COO]- 331.03390 173.1
[M+Na-2H]- 292.99472 165.0
[M]+ 272.01950 177.5
[M]- 272.02060 177.5
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