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]+ 331.04405 170.7
[M+Na]+ 353.02599 180.4
[M-H]- 329.02949 178.2
[M+NH4]+ 348.07059 191.4
[M+K]+ 368.99993 167.7
[M+H-H2O]+ 313.03403 169.4
[M+HCOO]- 375.03497 192.0
[M+CH3COO]- 389.05062 183.7
[M+Na-2H]- 351.01144 177.3
[M]+ 330.03622 188.9
[M]- 330.03732 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.