CID 3055392

72353-29-8

Structural Information

Molecular Formula
C17H16O2S
SMILES
CC(C1=CC2=C(C=C1)C3=CC=CC=C3C2)SCC(=O)O
InChI
InChI=1S/C17H16O2S/c1-11(20-10-17(18)19)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKey
LSIFHDCVJSZXJI-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.0871 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09438 165.1
[M+Na]+ 307.07632 173.1
[M-H]- 283.07982 169.3
[M+NH4]+ 302.12092 184.9
[M+K]+ 323.05026 168.1
[M+H-H2O]+ 267.08436 159.9
[M+HCOO]- 329.08530 179.5
[M+CH3COO]- 343.10095 176.6
[M+Na-2H]- 305.06177 166.3
[M]+ 284.08655 168.8
[M]- 284.08765 168.8
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

patents stripe