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

15
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 139.2
[M+Na]+ 260.97463 153.4
[M-H]- 236.97813 144.2
[M+NH4]+ 256.01923 157.5
[M+K]+ 276.94857 142.3
[M+H-H2O]+ 220.98267 137.3
[M+HCOO]- 282.98361 159.0
[M+CH3COO]- 296.99926 154.4
[M+Na-2H]- 258.96008 147.6
[M]+ 237.98486 158.6
[M]- 237.98596 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