CID 1268259

31545-26-3

Structural Information

Molecular Formula
C10H8ClNO3
SMILES
C1CC1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H8ClNO3/c11-8-4-3-7(5-9(8)12(14)15)10(13)6-1-2-6/h3-6H,1-2H2
InChIKey
UISHBVQQPVMSCS-UHFFFAOYSA-N
Compound name
(4-chloro-3-nitrophenyl)-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

225.01927 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.026546 137.9
[M+Na]+ 248.008488 147.4
[M-H]- 224.011994 145.4
[M+NH4]+ 243.053093 151.4
[M+K]+ 263.982428 139.3
[M+H-H2O]+ 208.016530 137.1
[M+HCOO]- 270.017471 158.7
[M+CH3COO]- 284.033121 185.4
[M+Na-2H]- 245.993936 144.2
[M]+ 225.01872142 140.9
[M]- 225.01981858 140.9
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