CID 68283826

1386506-95-1

Structural Information

Molecular Formula
C7H6BrN5
SMILES
C1=C(C=C(C=C1N)Br)C2=NNN=N2
InChI
InChI=1S/C7H6BrN5/c8-5-1-4(2-6(9)3-5)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
InChIKey
CQCNPWPBBOYWJK-UHFFFAOYSA-N
Compound name
3-bromo-5-(2H-tetrazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

238.98067 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.98795 139.2
[M+Na]+ 261.96989 152.4
[M-H]- 237.97339 142.7
[M+NH4]+ 257.01449 156.1
[M+K]+ 277.94383 139.8
[M+H-H2O]+ 221.97793 137.0
[M+HCOO]- 283.97887 158.3
[M+CH3COO]- 297.99452 153.3
[M+Na-2H]- 259.95534 147.2
[M]+ 238.98012 154.9
[M]- 238.98122 154.9
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