CID 3068106

Benzenamine, n,n-bis(2-chloroethyl)-4-(dodecyloxy)-

Structural Information

Molecular Formula
C22H37Cl2NO
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C22H37Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-20-26-22-14-12-21(13-15-22)25(18-16-23)19-17-24/h12-15H,2-11,16-20H2,1H3
InChIKey
QHLOTJPHGKWANL-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-dodecoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.22522 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.23250 203.1
[M+Na]+ 424.21444 206.4
[M-H]- 400.21794 204.9
[M+NH4]+ 419.25904 216.0
[M+K]+ 440.18838 199.4
[M+H-H2O]+ 384.22248 195.6
[M+HCOO]- 446.22342 215.3
[M+CH3COO]- 460.23907 229.1
[M+Na-2H]- 422.19989 201.7
[M]+ 401.22467 213.1
[M]- 401.22577 213.1
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.