CID 702481

2-(naphthalene-2-sulfonamido)acetic acid

Structural Information

Molecular Formula
C12H11NO4S
SMILES
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C12H11NO4S/c14-12(15)8-13-18(16,17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,13H,8H2,(H,14,15)
InChIKey
MTFDMQASMMCFHB-UHFFFAOYSA-N
Compound name
2-(naphthalen-2-ylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

40
Patents

265.0409 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04818 154.0
[M+Na]+ 288.03012 161.6
[M-H]- 264.03362 157.2
[M+NH4]+ 283.07472 170.8
[M+K]+ 304.00406 157.7
[M+H-H2O]+ 248.03816 148.0
[M+HCOO]- 310.03910 170.5
[M+CH3COO]- 324.05475 192.3
[M+Na-2H]- 286.01557 160.5
[M]+ 265.04035 156.4
[M]- 265.04145 156.4
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