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

776
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.