CID 21253

P-arsanilic acid, n,n-diethyl-

Structural Information

Molecular Formula
C10H16AsNO3
SMILES
CCN(CC)C1=CC=C(C=C1)[As](=O)(O)O
InChI
InChI=1S/C10H16AsNO3/c1-3-12(4-2)10-7-5-9(6-8-10)11(13,14)15/h5-8H,3-4H2,1-2H3,(H2,13,14,15)
InChIKey
YFUGZCXQZRAGQV-UHFFFAOYSA-N
Compound name
[4-(diethylamino)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.0346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04188 157.4
[M+Na]+ 296.02382 163.4
[M-H]- 272.02732 159.4
[M+NH4]+ 291.06842 174.7
[M+K]+ 311.99776 161.7
[M+H-H2O]+ 256.03186 151.1
[M+HCOO]- 318.03280 178.5
[M+CH3COO]- 332.04845 189.5
[M+Na-2H]- 294.00927 162.0
[M]+ 273.03405 158.3
[M]- 273.03515 158.3
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

patents stripe