CID 23023668

2-[(benzyloxy)methyl]-5-bromo-2h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C9H9BrN4O
SMILES
C1=CC=C(C=C1)COCN2N=C(N=N2)Br
InChI
InChI=1S/C9H9BrN4O/c10-9-11-13-14(12-9)7-15-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
DCHITHSRCJTYLJ-UHFFFAOYSA-N
Compound name
5-bromo-2-(phenylmethoxymethyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

267.99597 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.00325 145.8
[M+Na]+ 290.98519 158.4
[M-H]- 266.98869 150.3
[M+NH4]+ 286.02979 162.5
[M+K]+ 306.95913 147.7
[M+H-H2O]+ 250.99323 143.3
[M+HCOO]- 312.99417 165.4
[M+CH3COO]- 327.00982 160.1
[M+Na-2H]- 288.97064 154.4
[M]+ 267.99542 166.3
[M]- 267.99652 166.3
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