CID 825627

332859-82-2

Structural Information

Molecular Formula
C8H7BrN4
SMILES
CC1=CC(=C(C=C1)N2C=NN=N2)Br
InChI
InChI=1S/C8H7BrN4/c1-6-2-3-8(7(9)4-6)13-5-10-11-12-13/h2-5H,1H3
InChIKey
IJJKMRHRDNBCOE-UHFFFAOYSA-N
Compound name
1-(2-bromo-4-methylphenyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

237.98541 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.992686 139.2
[M+Na]+ 260.974628 153.4
[M-H]- 236.978134 144.2
[M+NH4]+ 256.019233 157.5
[M+K]+ 276.948568 142.3
[M+H-H2O]+ 220.982670 137.3
[M+HCOO]- 282.983611 159.0
[M+CH3COO]- 296.999261 154.4
[M+Na-2H]- 258.960076 147.6
[M]+ 237.98486142 158.6
[M]- 237.98595858 158.6
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

patents stripe