CID 645086

N-2-fluorenesulfonyl-beta-alanine

Structural Information

Molecular Formula
C16H15NO4S
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)S(=O)(=O)NCCC(=O)O
InChI
InChI=1S/C16H15NO4S/c18-16(19)7-8-17-22(20,21)13-5-6-15-12(10-13)9-11-3-1-2-4-14(11)15/h1-6,10,17H,7-9H2,(H,18,19)
InChIKey
SFGAXTGZJZQGEH-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-2-ylsulfonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

317.07217 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07945 169.9
[M+Na]+ 340.06139 177.9
[M-H]- 316.06489 174.1
[M+NH4]+ 335.10599 187.6
[M+K]+ 356.03533 173.2
[M+H-H2O]+ 300.06943 164.6
[M+HCOO]- 362.07037 185.7
[M+CH3COO]- 376.08602 203.1
[M+Na-2H]- 338.04684 174.9
[M]+ 317.07162 174.0
[M]- 317.07272 174.0
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.