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

19
Patents

185.02884 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.036116 131.8
[M+Na]+ 208.018058 140.9
[M-H]- 184.021564 133.4
[M+NH4]+ 203.062663 151.2
[M+K]+ 223.991998 134.1
[M+H-H2O]+ 168.026100 129.3
[M+HCOO]- 230.027041 156.0
[M+CH3COO]- 244.042691 175.7
[M+Na-2H]- 206.003506 138.7
[M]+ 185.02829142 128.1
[M]- 185.02938858 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