CID 71000

4-[bis(2-chloroethyl)amino]phenol

Structural Information

Molecular Formula
C10H13Cl2NO
SMILES
C1=CC(=CC=C1N(CCCl)CCCl)O
InChI
InChI=1S/C10H13Cl2NO/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9/h1-4,14H,5-8H2
InChIKey
WRVLEDLJKOSANT-UHFFFAOYSA-N
Compound name
4-[bis(2-chloroethyl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

334
Patents

233.03741 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04469 148.1
[M+Na]+ 256.02663 156.1
[M-H]- 232.03013 150.8
[M+NH4]+ 251.07123 167.1
[M+K]+ 272.00057 151.2
[M+H-H2O]+ 216.03467 143.7
[M+HCOO]- 278.03561 162.9
[M+CH3COO]- 292.05126 191.6
[M+Na-2H]- 254.01208 152.8
[M]+ 233.03686 151.9
[M]- 233.03796 151.9
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.