CID 2779770

1-fluoro-2,3,4,5,6-pentabromobenzene

Structural Information

Molecular Formula
C6Br5F
SMILES
C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)F
InChI
InChI=1S/C6Br5F/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey
VJIBAQYQQGAGKM-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromo-6-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

485.5901 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.59738 161.7
[M+Na]+ 508.57932 169.6
[M-H]- 484.58282 165.3
[M+NH4]+ 503.62392 169.5
[M+K]+ 524.55326 158.0
[M+H-H2O]+ 468.58736 179.0
[M+HCOO]- 530.58830 165.3
[M+CH3COO]- 544.60395 244.8
[M+Na-2H]- 506.56477 162.1
[M]+ 485.58955 191.9
[M]- 485.59065 191.9
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