CID 54594031

6-nitro-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C6H3ClN4O4S
SMILES
C1=CC2=NC(=NN2C=C1[N+](=O)[O-])S(=O)(=O)Cl
InChI
InChI=1S/C6H3ClN4O4S/c7-16(14,15)6-8-5-2-1-4(11(12)13)3-10(5)9-6/h1-3H
InChIKey
IJSIWEKPRFVAPH-UHFFFAOYSA-N
Compound name
6-nitro-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.95636 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.96364 148.1
[M+Na]+ 284.94558 159.9
[M-H]- 260.94908 150.5
[M+NH4]+ 279.99018 164.2
[M+K]+ 300.91952 152.1
[M+H-H2O]+ 244.95362 146.7
[M+HCOO]- 306.95456 162.1
[M+CH3COO]- 320.97021 181.5
[M+Na-2H]- 282.93103 157.6
[M]+ 261.95581 152.7
[M]- 261.95691 152.7
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.