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

1
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

literature stripe

Patent stripe

patents stripe