CID 3048061

63884-42-4

Structural Information

Molecular Formula
C11H15Cl2NO3
SMILES
COC1=C(C=C(C(=C1)O)N(CCCl)CCCl)O
InChI
InChI=1S/C11H15Cl2NO3/c1-17-11-7-9(15)8(6-10(11)16)14(4-2-12)5-3-13/h6-7,15-16H,2-5H2,1H3
InChIKey
JTUARZHCHIJJGF-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-5-methoxybenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0429 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05018 156.9
[M+Na]+ 302.03212 165.7
[M-H]- 278.03562 159.0
[M+NH4]+ 297.07672 174.0
[M+K]+ 318.00606 161.1
[M+H-H2O]+ 262.04016 152.9
[M+HCOO]- 324.04110 170.5
[M+CH3COO]- 338.05675 198.4
[M+Na-2H]- 300.01757 159.5
[M]+ 279.04235 162.9
[M]- 279.04345 162.9
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.