CID 227160

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

Structural Information

Molecular Formula
C17H17Cl2N
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)N(CCCl)CCCl
InChI
InChI=1S/C17H17Cl2N/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
WGHBMRGWDPIQCP-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-9H-fluoren-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0738 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08108 172.0
[M+Na]+ 328.06302 181.1
[M-H]- 304.06652 177.4
[M+NH4]+ 323.10762 192.6
[M+K]+ 344.03696 173.8
[M+H-H2O]+ 288.07106 166.1
[M+HCOO]- 350.07200 186.0
[M+CH3COO]- 364.08765 183.7
[M+Na-2H]- 326.04847 175.8
[M]+ 305.07325 177.6
[M]- 305.07435 177.6
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.