CID 45599370

4-bromo-7,8-difluoroquinoline

Structural Information

Molecular Formula
C9H4BrF2N
SMILES
C1=CC(=C(C2=NC=CC(=C21)Br)F)F
InChI
InChI=1S/C9H4BrF2N/c10-6-3-4-13-9-5(6)1-2-7(11)8(9)12/h1-4H
InChIKey
XMRWACGSQHZGJV-UHFFFAOYSA-N
Compound name
4-bromo-7,8-difluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.94952 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.95680 140.9
[M+Na]+ 265.93874 155.4
[M-H]- 241.94224 145.1
[M+NH4]+ 260.98334 162.3
[M+K]+ 281.91268 143.3
[M+H-H2O]+ 225.94678 139.4
[M+HCOO]- 287.94772 159.6
[M+CH3COO]- 301.96337 156.2
[M+Na-2H]- 263.92419 149.7
[M]+ 242.94897 157.7
[M]- 242.95007 157.7
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