CID 223342

[4-(2-hydroxyethoxy)-3-nitro-phenyl]arsonic acid

Structural Information

Molecular Formula
C8H10AsNO7
SMILES
C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])OCCO
InChI
InChI=1S/C8H10AsNO7/c11-3-4-17-8-2-1-6(9(12,13)14)5-7(8)10(15)16/h1-2,5,11H,3-4H2,(H2,12,13,14)
InChIKey
HRYGOHMEJQLWGW-UHFFFAOYSA-N
Compound name
[4-(2-hydroxyethoxy)-3-nitrophenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.96732 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.97460 157.1
[M+Na]+ 329.95654 163.2
[M-H]- 305.96004 156.8
[M+NH4]+ 325.00114 170.9
[M+K]+ 345.93048 157.2
[M+H-H2O]+ 289.96458 155.7
[M+HCOO]- 351.96552 177.2
[M+CH3COO]- 365.98117 178.9
[M+Na-2H]- 327.94199 164.4
[M]+ 306.96677 156.8
[M]- 306.96787 156.8
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.