CID 338062

82201-26-1

Structural Information

Molecular Formula
C12H11ClN3O2P
SMILES
CC1=NN(P2C1ON=C2C3=CC=C(C=C3)Cl)C(=O)C
InChI
InChI=1S/C12H11ClN3O2P/c1-7-12-18-15-11(9-3-5-10(13)6-4-9)19(12)16(14-7)8(2)17/h3-6,12H,1-2H3
InChIKey
NGIYIUCTGASGLZ-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-7-methyl-7aH-diazaphospholo[3,4-d][1,2,4]oxazaphosphol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.02774 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03502 165.0
[M+Na]+ 318.01696 175.8
[M-H]- 294.02046 169.1
[M+NH4]+ 313.06156 181.2
[M+K]+ 333.99090 172.6
[M+H-H2O]+ 278.02500 155.0
[M+HCOO]- 340.02594 184.6
[M+CH3COO]- 354.04159 200.9
[M+Na-2H]- 316.00241 162.0
[M]+ 295.02719 169.9
[M]- 295.02829 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.