CID 84696292

4-bromo-1,1-difluoro-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C9H7BrF2
SMILES
C1CC(C2=C1C(=CC=C2)Br)(F)F
InChI
InChI=1S/C9H7BrF2/c10-8-3-1-2-7-6(8)4-5-9(7,11)12/h1-3H,4-5H2
InChIKey
FEUWSISFUFMHMQ-UHFFFAOYSA-N
Compound name
7-bromo-3,3-difluoro-1,2-dihydroindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

231.96992 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97720 142.9
[M+Na]+ 254.95914 156.8
[M-H]- 230.96264 148.3
[M+NH4]+ 250.00374 169.5
[M+K]+ 270.93308 145.2
[M+H-H2O]+ 214.96718 143.2
[M+HCOO]- 276.96812 162.4
[M+CH3COO]- 290.98377 158.6
[M+Na-2H]- 252.94459 149.8
[M]+ 231.96937 158.6
[M]- 231.97047 158.6
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