CID 101462198

(1e)-3-chloro-3,3-difluoro-1-nitroprop-1-ene

Structural Information

Molecular Formula
C3H2ClF2NO2
SMILES
C(=C/[N+](=O)[O-])\C(F)(F)Cl
InChI
InChI=1S/C3H2ClF2NO2/c4-3(5,6)1-2-7(8)9/h1-2H/b2-1+
InChIKey
KDGMJXVWZYLJAY-OWOJBTEDSA-N
Compound name
(E)-3-chloro-3,3-difluoro-1-nitroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.97421 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.981486 122.2
[M+Na]+ 179.963428 131.3
[M-H]- 155.966934 120.3
[M+NH4]+ 175.008033 143.3
[M+K]+ 195.937368 125.1
[M+H-H2O]+ 139.971470 122.7
[M+HCOO]- 201.972411 140.5
[M+CH3COO]- 215.988061 167.2
[M+Na-2H]- 177.948876 130.9
[M]+ 156.97366142 119.6
[M]- 156.97475858 119.6
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

No patent data available for this compound.