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 163.4
[M+Na]+ 328.01366 168.1
[M-H]- 304.01716 162.3
[M+NH4]+ 323.05826 177.6
[M+K]+ 343.98760 165.9
[M+H-H2O]+ 288.02170 156.8
[M+HCOO]- 350.02264 181.7
[M+CH3COO]- 364.03829 189.1
[M+Na-2H]- 325.99911 167.2
[M]+ 305.02389 163.3
[M]- 305.02499 163.3
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.