CID 165792089

2825008-04-4

Structural Information

Molecular Formula
C8H4BrF3N4
SMILES
C1=CC(=C(C=C1Br)C2=NNN=N2)C(F)(F)F
InChI
InChI=1S/C8H4BrF3N4/c9-4-1-2-6(8(10,11)12)5(3-4)7-13-15-16-14-7/h1-3H,(H,13,14,15,16)
InChIKey
DRGHVKBYCVWBRD-UHFFFAOYSA-N
Compound name
5-[5-bromo-2-(trifluoromethyl)phenyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.95715 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.964426 152.8
[M+Na]+ 314.946368 166.9
[M-H]- 290.949874 153.1
[M+NH4]+ 309.990973 168.2
[M+K]+ 330.920308 153.9
[M+H-H2O]+ 274.954410 148.9
[M+HCOO]- 336.955351 166.6
[M+CH3COO]- 350.971001 192.5
[M+Na-2H]- 312.931816 159.2
[M]+ 291.95660142 166.6
[M]- 291.95769858 166.6
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

No patent data available for this compound.