CID 294140

Urea, 1-(2-bromoethyl)-3-(1-fluorenyl)-

Structural Information

Molecular Formula
C16H15BrN2O
SMILES
C1C2=CC=CC=C2C3=C1C(=CC=C3)NC(=O)NCCBr
InChI
InChI=1S/C16H15BrN2O/c17-8-9-18-16(20)19-15-7-3-6-13-12-5-2-1-4-11(12)10-14(13)15/h1-7H,8-10H2,(H2,18,19,20)
InChIKey
CRYRTOUAXDGYDO-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-(9H-fluoren-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.03677 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.044046 170.7
[M+Na]+ 353.025988 180.4
[M-H]- 329.029494 178.2
[M+NH4]+ 348.070593 191.4
[M+K]+ 368.999928 167.7
[M+H-H2O]+ 313.034030 169.4
[M+HCOO]- 375.034971 192.0
[M+CH3COO]- 389.050621 183.7
[M+Na-2H]- 351.011436 177.3
[M]+ 330.03622142 188.9
[M]- 330.03731858 188.9
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

No patent data available for this compound.