CID 43617302

1-(4-bromophenyl)-5-methyl-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C8H7BrN4
SMILES
CC1=NN=NN1C2=CC=C(C=C2)Br
InChI
InChI=1S/C8H7BrN4/c1-6-10-11-12-13(6)8-4-2-7(9)3-5-8/h2-5H,1H3
InChIKey
ZFUIYWIAFBEXLY-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-5-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

237.98541 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99269 147.4
[M+Na]+ 260.97463 152.4
[M+NH4]+ 256.01923 151.5
[M+K]+ 276.94857 153.4
[M-H]- 236.97813 147.7
[M+Na-2H]- 258.96008 152.3
[M]+ 237.98486 147.0
[M]- 237.98596 147.0
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