CID 241801

2-(n,n-bis(2-bromoethyl)amino)fluorene

Structural Information

Molecular Formula
C17H17Br2N
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)N(CCBr)CCBr
InChI
InChI=1S/C17H17Br2N/c18-7-9-20(10-8-19)15-5-6-17-14(12-15)11-13-3-1-2-4-16(13)17/h1-6,12H,7-11H2
InChIKey
WXJPSQUPGYKDNY-UHFFFAOYSA-N
Compound name
N,N-bis(2-bromoethyl)-9H-fluoren-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.97278 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.98006 175.2
[M+Na]+ 415.96200 184.5
[M-H]- 391.96550 183.6
[M+NH4]+ 411.00660 194.4
[M+K]+ 431.93594 169.2
[M+H-H2O]+ 375.97004 182.3
[M+HCOO]- 437.97098 190.9
[M+CH3COO]- 451.98663 187.5
[M+Na-2H]- 413.94745 180.2
[M]+ 392.97223 210.3
[M]- 392.97333 210.3
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.