CID 298181

2797-79-7

Structural Information

Molecular Formula
C6H3BrF4N2
SMILES
C1(=C(C(=C(C(=C1F)F)Br)F)F)NN
InChI
InChI=1S/C6H3BrF4N2/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h13H,12H2
InChIKey
NQXNTMIIWYYOBI-UHFFFAOYSA-N
Compound name
(4-bromo-2,3,5,6-tetrafluorophenyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

257.94156 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.94884 143.7
[M+Na]+ 280.93078 157.8
[M-H]- 256.93428 145.6
[M+NH4]+ 275.97538 163.9
[M+K]+ 296.90472 144.7
[M+H-H2O]+ 240.93882 139.6
[M+HCOO]- 302.93976 163.3
[M+CH3COO]- 316.95541 197.9
[M+Na-2H]- 278.91623 147.2
[M]+ 257.94101 155.4
[M]- 257.94211 155.4
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