CID 137562

2368-49-2

Structural Information

Molecular Formula
C6Br3F3
SMILES
C1(=C(C(=C(C(=C1Br)F)Br)F)Br)F
InChI
InChI=1S/C6Br3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKey
QKWXXOBRXUWWSG-UHFFFAOYSA-N
Compound name
1,3,5-tribromo-2,4,6-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

365.7502 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.75748 141.5
[M+Na]+ 388.73942 151.7
[M-H]- 364.74292 145.6
[M+NH4]+ 383.78402 156.6
[M+K]+ 404.71336 135.7
[M+H-H2O]+ 348.74746 155.1
[M+HCOO]- 410.74840 150.7
[M+CH3COO]- 424.76405 221.8
[M+Na-2H]- 386.72487 145.4
[M]+ 365.74965 180.2
[M]- 365.75075 180.2
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