CID 154699470

Ns00117236

Structural Information

Molecular Formula
C11H10N2O4S
SMILES
C1=CC=C(C=C1)C2=CN=C(C=C2)NOS(=O)(=O)O
InChI
InChI=1S/C11H10N2O4S/c14-18(15,16)17-13-11-7-6-10(8-12-11)9-4-2-1-3-5-9/h1-8H,(H,12,13)(H,14,15,16)
InChIKey
ADCZAHJFXXSWIV-UHFFFAOYSA-N
Compound name
[(5-phenylpyridin-2-yl)amino] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.03613 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04341 154.6
[M+Na]+ 289.02535 162.8
[M-H]- 265.02885 159.1
[M+NH4]+ 284.06995 168.8
[M+K]+ 304.99929 158.7
[M+H-H2O]+ 249.03339 147.0
[M+HCOO]- 311.03433 172.7
[M+CH3COO]- 325.04998 190.2
[M+Na-2H]- 287.01080 161.7
[M]+ 266.03558 156.8
[M]- 266.03668 156.8
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

No patent data available for this compound.