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 156.7
[M+Na]+ 283.03752 165.3
[M-H]- 259.04102 162.2
[M+NH4]+ 278.08212 175.8
[M+K]+ 299.01146 161.4
[M+H-H2O]+ 243.04556 151.2
[M+HCOO]- 305.04650 175.2
[M+CH3COO]- 319.06215 204.8
[M+Na-2H]- 281.02297 161.1
[M]+ 260.04775 163.5
[M]- 260.04885 163.5
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.