CID 28401538

5-bromo-2-[(1-methyl-1h-1,2,3,4-tetrazol-5-yl)sulfanyl]aniline

Structural Information

Molecular Formula
C8H8BrN5S
SMILES
CN1C(=NN=N1)SC2=C(C=C(C=C2)Br)N
InChI
InChI=1S/C8H8BrN5S/c1-14-8(11-12-13-14)15-7-3-2-5(9)4-6(7)10/h2-4H,10H2,1H3
InChIKey
UYWGGGQHYYUZPJ-UHFFFAOYSA-N
Compound name
5-bromo-2-(1-methyltetrazol-5-yl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

284.96838 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.97566 148.1
[M+Na]+ 307.95760 151.8
[M+NH4]+ 303.00220 152.1
[M+K]+ 323.93154 152.2
[M-H]- 283.96110 148.9
[M+Na-2H]- 305.94305 152.0
[M]+ 284.96783 148.0
[M]- 284.96893 148.0
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