CID 45382179

319906-45-1

Structural Information

Molecular Formula

C₁₅H₁₂BrI

SMILES

CC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)I)C

InChI

InChI=1S/C15H12BrI/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3

InChIKey

LOXUVZPMEXKUEJ-UHFFFAOYSA-N

Compound name

2-bromo-7-iodo-9,9-dimethylfluorene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 437
Patents: 397.91672 Da
Monoisotopic Mass: 5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	398.92400	161.7
[M+Na]+	420.90594	169.5
[M-H]-	396.90944	163.6
[M+NH4]+	415.95054	182.4
[M+K]+	436.87988	162.9
[M+H-H2O]+	380.91398	159.1
[M+HCOO]-	442.91492	177.4
[M+CH3COO]-	456.93057	173.2
[M+Na-2H]-	418.89139	157.9
[M]+	397.91617	178.7
[M]-	397.91727	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe