CID 4188606

Methylphenylchlorophosphine

Structural Information

Molecular Formula

SMILES

CP(C1=CC=CC=C1)Cl

InChI

InChI=1S/C7H8ClP/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

JEPQKKGNKYPFIZ-UHFFFAOYSA-N

Compound name

chloro-methyl-phenylphosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 158.00522 Da
Monoisotopic Mass: 2.3
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]+	159.01250	130.3
[M+Na]+	180.99444	138.8
[M-H]-	156.99794	132.9
[M+NH4]+	176.03904	152.7
[M+K]+	196.96838	135.6
[M+H-H2O]+	141.00248	123.8
[M+HCOO]-	203.00342	155.1
[M+CH3COO]-	217.01907	177.2
[M+Na-2H]-	178.97989	134.0
[M]+	158.00467	132.5
[M]-	158.00577	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe