CID 34367

28920-43-6

Structural Information

Molecular Formula
C15H11ClO2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)Cl
InChI
InChI=1S/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2
InChIKey
IRXSLJNXXZKURP-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

252
References

13907
Patents

258.04477 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05205 156.2
[M+Na]+ 281.03399 166.4
[M-H]- 257.03749 161.9
[M+NH4]+ 276.07859 178.0
[M+K]+ 297.00793 160.7
[M+H-H2O]+ 241.04203 150.9
[M+HCOO]- 303.04297 174.2
[M+CH3COO]- 317.05862 169.5
[M+Na-2H]- 279.01944 161.5
[M]+ 258.04422 160.9
[M]- 258.04532 160.9
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