CID 125449141

2-(dibromo-2h-1,2,3-triazol-2-yl)acetic acid

Structural Information

Molecular Formula
C4H3Br2N3O2
SMILES
C(C(=O)O)N1N=C(C(=N1)Br)Br
InChI
InChI=1S/C4H3Br2N3O2/c5-3-4(6)8-9(7-3)1-2(10)11/h1H2,(H,10,11)
InChIKey
JUCRNHYSVBKGAP-UHFFFAOYSA-N
Compound name
2-(4,5-dibromotriazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.8592 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.86648 129.6
[M+Na]+ 305.84842 142.3
[M-H]- 281.85192 133.1
[M+NH4]+ 300.89302 147.3
[M+K]+ 321.82236 127.6
[M+H-H2O]+ 265.85646 137.2
[M+HCOO]- 327.85740 144.1
[M+CH3COO]- 341.87305 197.6
[M+Na-2H]- 303.83387 136.6
[M]+ 282.85865 164.2
[M]- 282.85975 164.2
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.