CID 140222

5-chlorobenzofuroxan

Structural Information

Molecular Formula
C6H3ClN2O2
SMILES
C1=CC2=[N+](ON=C2C=C1Cl)[O-]
InChI
InChI=1S/C6H3ClN2O2/c7-4-1-2-6-5(3-4)8-11-9(6)10/h1-3H
InChIKey
DHPQXIQZZCNOLI-UHFFFAOYSA-N
Compound name
5-chloro-1-oxido-2,1,3-benzoxadiazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

169.98831 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.99559 124.8
[M+Na]+ 192.97753 142.3
[M+NH4]+ 188.02213 134.4
[M+K]+ 208.95147 139.5
[M-H]- 168.98103 128.6
[M+Na-2H]- 190.96298 132.1
[M]+ 169.98776 128.7
[M]- 169.98886 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe