CID 7063906

3-methanesulfonamidonaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C12H11NO4S
SMILES
CS(=O)(=O)NC1=CC2=CC=CC=C2C=C1C(=O)O
InChI
InChI=1S/C12H11NO4S/c1-18(16,17)13-11-7-9-5-3-2-4-8(9)6-10(11)12(14)15/h2-7,13H,1H3,(H,14,15)
InChIKey
UMBRMWDSYIPKFV-UHFFFAOYSA-N
Compound name
3-(methanesulfonamido)naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0409 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.048176 153.8
[M+Na]+ 288.030118 162.2
[M-H]- 264.033624 157.4
[M+NH4]+ 283.074723 170.8
[M+K]+ 304.004058 158.4
[M+H-H2O]+ 248.038160 148.1
[M+HCOO]- 310.039101 170.2
[M+CH3COO]- 324.054751 193.5
[M+Na-2H]- 286.015566 159.7
[M]+ 265.04035142 156.6
[M]- 265.04144858 156.6
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.