CID 28818827

877065-30-0

Structural Information

Molecular Formula
C10H8ClNO4
SMILES
COC(=O)/C=C/C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H8ClNO4/c1-16-10(13)5-3-7-2-4-8(11)9(6-7)12(14)15/h2-6H,1H3/b5-3+
InChIKey
HQVWYUZVGLAMBS-HWKANZROSA-N
Compound name
methyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

241.01419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02147 148.6
[M+Na]+ 264.00341 157.0
[M-H]- 240.00691 152.5
[M+NH4]+ 259.04801 166.4
[M+K]+ 279.97735 149.8
[M+H-H2O]+ 224.01145 148.5
[M+HCOO]- 286.01239 169.3
[M+CH3COO]- 300.02804 183.2
[M+Na-2H]- 261.98886 154.0
[M]+ 241.01364 151.2
[M]- 241.01474 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe