CID 21983

Methyl(phenyl)phosphinoyl chloride

Structural Information

Molecular Formula
C7H8ClOP
SMILES
CP(=O)(C1=CC=CC=C1)Cl
InChI
InChI=1S/C7H8ClOP/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
BTMQENOUJJKBGT-UHFFFAOYSA-N
Compound name
[chloro(methyl)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

174.00012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.00740 133.1
[M+Na]+ 196.98934 142.5
[M-H]- 172.99284 136.0
[M+NH4]+ 192.03394 155.0
[M+K]+ 212.96328 139.1
[M+H-H2O]+ 156.99738 126.8
[M+HCOO]- 218.99832 157.7
[M+CH3COO]- 233.01397 177.7
[M+Na-2H]- 194.97479 138.7
[M]+ 173.99957 136.0
[M]- 174.00067 136.0
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