CID 5180708

(4-nitro-benzyl)-phosphonic acid

Structural Information

Molecular Formula
C7H8NO5P
SMILES
C1=CC(=CC=C1CP(=O)(O)O)[N+](=O)[O-]
InChI
InChI=1S/C7H8NO5P/c9-8(10)7-3-1-6(2-4-7)5-14(11,12)13/h1-4H,5H2,(H2,11,12,13)
InChIKey
FZNXRFYRXBFQMX-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

361
Patents

217.014 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02128 140.9
[M+Na]+ 240.00322 147.8
[M-H]- 216.00672 141.5
[M+NH4]+ 235.04782 157.8
[M+K]+ 255.97716 142.2
[M+H-H2O]+ 200.01126 138.3
[M+HCOO]- 262.01220 168.7
[M+CH3COO]- 276.02785 174.4
[M+Na-2H]- 237.98867 148.1
[M]+ 217.01345 140.0
[M]- 217.01455 140.0
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