CID 3065790

Phosphinic acid, (m-aminophenyl)phenyl-

Structural Information

Molecular Formula
C12H12NO2P
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC(=C2)N)O
InChI
InChI=1S/C12H12NO2P/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-9H,13H2,(H,14,15)
InChIKey
RXPMDUZWXQWWHC-UHFFFAOYSA-N
Compound name
(3-aminophenyl)-phenylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

233.06056 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.067836 152.2
[M+Na]+ 256.049778 159.2
[M-H]- 232.053284 156.2
[M+NH4]+ 251.094383 169.1
[M+K]+ 272.023718 155.4
[M+H-H2O]+ 216.057820 143.2
[M+HCOO]- 278.058761 180.1
[M+CH3COO]- 292.074411 189.5
[M+Na-2H]- 254.035226 156.0
[M]+ 233.06001142 150.1
[M]- 233.06110858 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