CID 59611258

1378387-81-5

Structural Information

Molecular Formula
C15H8BrClF2O
SMILES
C1=CC2=C(C=C1C(=O)CCl)C(C3=C2C=CC(=C3)Br)(F)F
InChI
InChI=1S/C15H8BrClF2O/c16-9-2-4-11-10-3-1-8(14(20)7-17)5-12(10)15(18,19)13(11)6-9/h1-6H,7H2
InChIKey
KHQZXVZXRCFXSC-UHFFFAOYSA-N
Compound name
1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

69
Patents

355.9415 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.94878 172.3
[M+Na]+ 378.93072 188.3
[M-H]- 354.93422 178.7
[M+NH4]+ 373.97532 196.1
[M+K]+ 394.90466 173.5
[M+H-H2O]+ 338.93876 172.4
[M+HCOO]- 400.93970 185.9
[M+CH3COO]- 414.95535 186.6
[M+Na-2H]- 376.91617 176.7
[M]+ 355.94095 193.0
[M]- 355.94205 193.0
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