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

45
Patents

241.01419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.021466 148.6
[M+Na]+ 264.003408 157.0
[M-H]- 240.006914 152.5
[M+NH4]+ 259.048013 166.4
[M+K]+ 279.977348 149.8
[M+H-H2O]+ 224.011450 148.5
[M+HCOO]- 286.012391 169.3
[M+CH3COO]- 300.028041 183.2
[M+Na-2H]- 261.988856 154.0
[M]+ 241.01364142 151.2
[M]- 241.01473858 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