CID 224877

(4-chloro-3-nitrophenyl)arsonic acid

Structural Information

Molecular Formula
C6H5AsClNO5
SMILES
C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])Cl
InChI
InChI=1S/C6H5AsClNO5/c8-5-2-1-4(7(10,11)12)3-6(5)9(13)14/h1-3H,(H2,10,11,12)
InChIKey
KCXLTLYNFDGRKZ-UHFFFAOYSA-N
Compound name
(4-chloro-3-nitrophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

280.90723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.91451 148.8
[M+Na]+ 303.89645 157.1
[M-H]- 279.89995 150.1
[M+NH4]+ 298.94105 165.4
[M+K]+ 319.87039 149.6
[M+H-H2O]+ 263.90449 149.2
[M+HCOO]- 325.90543 166.3
[M+CH3COO]- 339.92108 174.8
[M+Na-2H]- 301.88190 156.4
[M]+ 280.90668 148.9
[M]- 280.90778 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe