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

336
Patents

233.03741 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.044686 148.1
[M+Na]+ 256.026628 156.1
[M-H]- 232.030134 150.8
[M+NH4]+ 251.071233 167.1
[M+K]+ 272.000568 151.2
[M+H-H2O]+ 216.034670 143.7
[M+HCOO]- 278.035611 162.9
[M+CH3COO]- 292.051261 191.6
[M+Na-2H]- 254.012076 152.8
[M]+ 233.03686142 151.9
[M]- 233.03795858 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

literature stripe

Patent stripe

patents stripe