CID 14020412

Tetrahydrofuran-3-carbonyl chloride

Structural Information

Molecular Formula
C5H7ClO2
SMILES
C1COCC1C(=O)Cl
InChI
InChI=1S/C5H7ClO2/c6-5(7)4-1-2-8-3-4/h4H,1-3H2
InChIKey
RVMFDSHMPBPWRK-UHFFFAOYSA-N
Compound name
oxolane-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

427
Patents

134.01346 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02074 124.4
[M+Na]+ 157.00268 132.0
[M-H]- 133.00618 128.2
[M+NH4]+ 152.04728 147.2
[M+K]+ 172.97662 131.4
[M+H-H2O]+ 117.01072 120.5
[M+HCOO]- 179.01166 142.0
[M+CH3COO]- 193.02731 167.9
[M+Na-2H]- 154.98813 129.6
[M]+ 134.01291 124.5
[M]- 134.01401 124.5
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