CID 3016547

Furan, 3-chloro-

Structural Information

Molecular Formula
C4H3ClO
SMILES
C1=COC=C1Cl
InChI
InChI=1S/C4H3ClO/c5-4-1-2-6-3-4/h1-3H
InChIKey
JPPBBGANXNRTBE-UHFFFAOYSA-N
Compound name
3-chlorofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

814
Patents

101.98724 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.99452 112.9
[M+Na]+ 124.97646 123.2
[M-H]- 100.97996 117.5
[M+NH4]+ 120.02106 137.4
[M+K]+ 140.95040 122.2
[M+H-H2O]+ 84.984500 109.3
[M+HCOO]- 146.98544 134.4
[M+CH3COO]- 161.00109 162.3
[M+Na-2H]- 122.96191 122.0
[M]+ 101.98669 115.5
[M]- 101.98779 115.5
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