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 165.1
[M+Na]+ 334.01370 173.3
[M-H]- 310.01720 166.3
[M+NH4]+ 329.05830 181.4
[M+K]+ 349.98764 168.3
[M+H-H2O]+ 294.02174 159.1
[M+HCOO]- 356.02268 182.5
[M+CH3COO]- 370.03833 203.6
[M+Na-2H]- 331.99915 165.9
[M]+ 311.02393 171.0
[M]- 311.02503 171.0
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.