CID 11108

N,n-bis(2-chloroethyl)aniline

Structural Information

Molecular Formula
C10H13Cl2N
SMILES
C1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C10H13Cl2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
ROSJKFFLIXTTAW-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

96
References

728
Patents

217.04251 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04979 145.7
[M+Na]+ 240.03173 153.1
[M-H]- 216.03523 149.3
[M+NH4]+ 235.07633 165.7
[M+K]+ 256.00567 148.6
[M+H-H2O]+ 200.03977 140.7
[M+HCOO]- 262.04071 161.7
[M+CH3COO]- 276.05636 191.2
[M+Na-2H]- 238.01718 151.5
[M]+ 217.04196 149.5
[M]- 217.04306 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe