CID 5327154

1-methyl-3-phenyl-1h-pyrazol-5-ylsulfamic acid

Structural Information

Molecular Formula
C10H11N3O3S
SMILES
CN1C(=CC(=N1)C2=CC=CC=C2)NS(=O)(=O)O
InChI
InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16)
InChIKey
OTZLVSGSRPNRFT-UHFFFAOYSA-N
Compound name
(2-methyl-5-phenylpyrazol-3-yl)sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.05211 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05939 153.7
[M+Na]+ 276.04133 163.4
[M-H]- 252.04483 157.7
[M+NH4]+ 271.08593 169.6
[M+K]+ 292.01527 159.3
[M+H-H2O]+ 236.04937 146.6
[M+HCOO]- 298.05031 171.4
[M+CH3COO]- 312.06596 188.8
[M+Na-2H]- 274.02678 157.8
[M]+ 253.05156 155.9
[M]- 253.05266 155.9
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.