CID 12514986

822-47-9

Structural Information

Molecular Formula
C4H6ClOP
SMILES
C1C=CCP1(=O)Cl
InChI
InChI=1S/C4H6ClOP/c5-7(6)3-1-2-4-7/h1-2H,3-4H2
InChIKey
IUCZQRYUSYLIID-UHFFFAOYSA-N
Compound name
1-chloro-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

135.98448 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.99176 121.4
[M+Na]+ 158.97370 131.3
[M-H]- 134.97720 124.3
[M+NH4]+ 154.01830 148.3
[M+K]+ 174.94764 128.8
[M+H-H2O]+ 118.98174 116.2
[M+HCOO]- 180.98268 147.8
[M+CH3COO]- 194.99833 168.4
[M+Na-2H]- 156.95915 126.0
[M]+ 135.98393 123.0
[M]- 135.98503 123.1
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