CID 3087484

Phosphonic acid, (2-chloro-4-nitrophenyl)-

Structural Information

Molecular Formula
C6H5ClNO5P
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)P(=O)(O)O
InChI
InChI=1S/C6H5ClNO5P/c7-5-3-4(8(9)10)1-2-6(5)14(11,12)13/h1-3H,(H2,11,12,13)
InChIKey
PCWPSLCPIKEDCV-UHFFFAOYSA-N
Compound name
(2-chloro-4-nitrophenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

236.95938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.96666 140.2
[M+Na]+ 259.94860 149.1
[M-H]- 235.95210 141.3
[M+NH4]+ 254.99320 157.5
[M+K]+ 275.92254 142.0
[M+H-H2O]+ 219.95664 139.3
[M+HCOO]- 281.95758 163.9
[M+CH3COO]- 295.97323 176.4
[M+Na-2H]- 257.93405 147.1
[M]+ 236.95883 141.5
[M]- 236.95993 141.5
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