CID 85775984

289901-11-7

Structural Information

Molecular Formula
C15H12ClNO4S
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NS(=O)(=O)Cl
InChI
InChI=1S/C15H12ClNO4S/c16-22(19,20)17-15(18)21-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,17,18)
InChIKey
BSXMXCTWIRNTJY-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-chlorosulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

337.01755 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.02483 173.3
[M+Na]+ 360.00677 183.2
[M-H]- 336.01027 179.3
[M+NH4]+ 355.05137 192.1
[M+K]+ 375.98071 178.1
[M+H-H2O]+ 320.01481 168.9
[M+HCOO]- 382.01575 186.6
[M+CH3COO]- 396.03140 204.8
[M+Na-2H]- 357.99222 178.7
[M]+ 337.01700 181.0
[M]- 337.01810 181.0
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

patents stripe