CID 47002892

2,4-difluoro-1-[(e)-2-nitroethenyl]benzene

Structural Information

Molecular Formula
C8H5F2NO2
SMILES
C1=CC(=C(C=C1F)F)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C8H5F2NO2/c9-7-2-1-6(8(10)5-7)3-4-11(12)13/h1-5H/b4-3+
InChIKey
CLHDUGLTLZYKRB-ONEGZZNKSA-N
Compound name
2,4-difluoro-1-[(E)-2-nitroethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

185.02884 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03612 131.8
[M+Na]+ 208.01806 140.9
[M-H]- 184.02156 133.4
[M+NH4]+ 203.06266 151.2
[M+K]+ 223.99200 134.1
[M+H-H2O]+ 168.02610 129.3
[M+HCOO]- 230.02704 156.0
[M+CH3COO]- 244.04269 175.7
[M+Na-2H]- 206.00351 138.7
[M]+ 185.02829 128.1
[M]- 185.02939 128.1
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