CID 21250

5185-70-6

Structural Information

Molecular Formula
C10H16AsNO5
SMILES
C1=CC(=CC=C1N(CCO)CCO)[As](=O)(O)O
InChI
InChI=1S/C10H16AsNO5/c13-7-5-12(6-8-14)10-3-1-9(2-4-10)11(15,16)17/h1-4,13-14H,5-8H2,(H2,15,16,17)
InChIKey
GZFQBDTTYMPBHE-UHFFFAOYSA-N
Compound name
[4-[bis(2-hydroxyethyl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.02444 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.03172 161.7
[M+Na]+ 328.01366 169.3
[M+NH4]+ 323.05826 166.1
[M+K]+ 343.98760 166.5
[M-H]- 304.01716 159.8
[M+Na-2H]- 325.99911 163.9
[M]+ 305.02389 161.7
[M]- 305.02499 161.7
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.