CID 447534

Iso24

Structural Information

Molecular Formula
C9H12NO4P
SMILES
CCC1=CC=C(C=C1)NC(=O)P(=O)(O)O
InChI
InChI=1S/C9H12NO4P/c1-2-7-3-5-8(6-4-7)10-9(11)15(12,13)14/h3-6H,2H2,1H3,(H,10,11)(H2,12,13,14)
InChIKey
KGNSYMGWPCEFDZ-UHFFFAOYSA-N
Compound name
(4-ethylphenyl)carbamoylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

229.0504 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05768 150.0
[M+Na]+ 252.03962 156.4
[M-H]- 228.04312 150.0
[M+NH4]+ 247.08422 166.8
[M+K]+ 268.01356 154.6
[M+H-H2O]+ 212.04766 142.2
[M+HCOO]- 274.04860 176.3
[M+CH3COO]- 288.06425 186.3
[M+Na-2H]- 250.02507 152.6
[M]+ 229.04985 150.1
[M]- 229.05095 150.1
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