CID 51340615

1263046-29-2

Structural Information

Molecular Formula
C21H17NO3
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=CC=C4O
InChI
InChI=1S/C21H17NO3/c23-20-12-6-5-11-19(20)22-21(24)25-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-12,18,23H,13H2,(H,22,24)
InChIKey
WYHCGXXOVZRLGB-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-(2-hydroxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

331.12085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12813 175.8
[M+Na]+ 354.11007 183.1
[M-H]- 330.11357 183.3
[M+NH4]+ 349.15467 192.2
[M+K]+ 370.08401 177.5
[M+H-H2O]+ 314.11811 168.0
[M+HCOO]- 376.11905 197.3
[M+CH3COO]- 390.13470 186.8
[M+Na-2H]- 352.09552 180.4
[M]+ 331.12030 177.0
[M]- 331.12140 177.0
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