CID 154728137

7-bromo-6-fluoro-1-methyl-1h-1,2,3-benzotriazole

Structural Information

Molecular Formula
C7H5BrFN3
SMILES
CN1C2=C(C=CC(=C2Br)F)N=N1
InChI
InChI=1S/C7H5BrFN3/c1-12-7-5(10-11-12)3-2-4(9)6(7)8/h2-3H,1H3
InChIKey
UUKRDUDCPDBEOG-UHFFFAOYSA-N
Compound name
7-bromo-6-fluoro-1-methylbenzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.96509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.97237 136.1
[M+Na]+ 251.95431 152.7
[M-H]- 227.95781 139.7
[M+NH4]+ 246.99891 157.7
[M+K]+ 267.92825 141.3
[M+H-H2O]+ 211.96235 135.0
[M+HCOO]- 273.96329 156.4
[M+CH3COO]- 287.97894 152.3
[M+Na-2H]- 249.93976 145.1
[M]+ 228.96454 156.6
[M]- 228.96564 156.6
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

No patent data available for this compound.