CID 32678

Benzoyl chloride, m-(bis(2-chloroethyl)amino)-

Structural Information

Molecular Formula
C11H12Cl3NO
SMILES
C1=CC(=CC(=C1)N(CCCl)CCCl)C(=O)Cl
InChI
InChI=1S/C11H12Cl3NO/c12-4-6-15(7-5-13)10-3-1-2-9(8-10)11(14)16/h1-3,8H,4-7H2
InChIKey
DAHGLNLVALQWNU-UHFFFAOYSA-N
Compound name
3-[bis(2-chloroethyl)amino]benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

278.99844 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.00572 158.0
[M+Na]+ 301.98766 171.5
[M+NH4]+ 297.03226 166.6
[M+K]+ 317.96160 163.1
[M-H]- 277.99116 160.3
[M+Na-2H]- 299.97311 164.6
[M]+ 278.99789 161.4
[M]- 278.99899 161.4
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

patents stripe