CID 319038

N,n-bis(2-chloroethyl)-3-methyl-4-nitrosoaniline

Structural Information

Molecular Formula
C11H14Cl2N2O
SMILES
CC1=C(C=CC(=C1)N(CCCl)CCCl)N=O
InChI
InChI=1S/C11H14Cl2N2O/c1-9-8-10(2-3-11(9)14-16)15(6-4-12)7-5-13/h2-3,8H,4-7H2,1H3
InChIKey
JGHUXJOHWMMZFC-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-3-methyl-4-nitrosoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0483 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05558 154.8
[M+Na]+ 283.03752 168.2
[M+NH4]+ 278.08212 163.7
[M+K]+ 299.01146 159.9
[M-H]- 259.04102 158.6
[M+Na-2H]- 281.02297 162.2
[M]+ 260.04775 158.4
[M]- 260.04885 158.4
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.