CID 90711

2-furancarbonyl chloride, 5-nitro-

Structural Information

Molecular Formula
C5H2ClNO4
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C(=O)Cl
InChI
InChI=1S/C5H2ClNO4/c6-5(8)3-1-2-4(11-3)7(9)10/h1-2H
InChIKey
OLEFNFXYGGTROA-UHFFFAOYSA-N
Compound name
5-nitrofuran-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

269
Patents

174.96724 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.97452 130.7
[M+Na]+ 197.95646 139.7
[M-H]- 173.95996 135.4
[M+NH4]+ 193.00106 151.1
[M+K]+ 213.93040 135.0
[M+H-H2O]+ 157.96450 131.4
[M+HCOO]- 219.96544 152.4
[M+CH3COO]- 233.98109 169.5
[M+Na-2H]- 195.94191 138.2
[M]+ 174.96669 132.9
[M]- 174.96779 132.9
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