CID 276671

Urea, 1-(2-chloroethyl)-3-(fluoren-2-yl)-

Structural Information

Molecular Formula
C16H15ClN2O
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)NCCCl
InChI
InChI=1S/C16H15ClN2O/c17-7-8-18-16(20)19-13-5-6-15-12(10-13)9-11-3-1-2-4-14(11)15/h1-6,10H,7-9H2,(H2,18,19,20)
InChIKey
ZRWNLCOUEKDUTM-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(9H-fluoren-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

286.08728 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09456 164.4
[M+Na]+ 309.07650 172.5
[M-H]- 285.08000 169.6
[M+NH4]+ 304.12110 184.4
[M+K]+ 325.05044 166.1
[M+H-H2O]+ 269.08454 158.4
[M+HCOO]- 331.08548 184.0
[M+CH3COO]- 345.10113 176.3
[M+Na-2H]- 307.06195 170.2
[M]+ 286.08673 166.7
[M]- 286.08783 166.7
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