CID 209356

19768-76-4

Structural Information

Molecular Formula
C11H16Cl2NO3P
SMILES
CC1=C(C=C(C=C1)P(=O)(O)O)N(CCCl)CCCl
InChI
InChI=1S/C11H16Cl2NO3P/c1-9-2-3-10(18(15,16)17)8-11(9)14(6-4-12)7-5-13/h2-3,8H,4-7H2,1H3,(H2,15,16,17)
InChIKey
BIOHVRABGYPFNT-UHFFFAOYSA-N
Compound name
[3-[bis(2-chloroethyl)amino]-4-methylphenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.02448 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.03176 166.0
[M+Na]+ 334.01370 176.9
[M+NH4]+ 329.05830 172.4
[M+K]+ 349.98764 171.4
[M-H]- 310.01720 165.9
[M+Na-2H]- 331.99915 170.0
[M]+ 311.02393 167.8
[M]- 311.02503 167.8
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.