CID 120356

Fluorobenzotepa

Structural Information

Molecular Formula

C₁₁H₁₃FN₃O₂P

SMILES

C1CN1P(=O)(NC(=O)C2=CC=C(C=C2)F)N3CC3

InChI

InChI=1S/C11H13FN3O2P/c12-10-3-1-9(2-4-10)11(16)13-18(17,14-5-6-14)15-7-8-15/h1-4H,5-8H2,(H,13,16,17)

InChIKey

GDNAXBLBWKDNIR-UHFFFAOYSA-N

Compound name

N-[bis(aziridin-1-yl)phosphoryl]-4-fluorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4
Patents: 269.07294 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.08022	145.6
[M+Na]+	292.06216	155.9
[M+NH4]+	287.10676	151.5
[M+K]+	308.03610	155.8
[M-H]-	268.06566	157.8
[M+Na-2H]-	290.04761	155.8
[M]+	269.07239	152.0
[M]-	269.07349	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe