CID 137965920

1,1-difluoro-3-nitrobut-2-ene

Structural Information

Molecular Formula
C4H5F2NO2
SMILES
C/C(=C\C(F)F)/[N+](=O)[O-]
InChI
InChI=1S/C4H5F2NO2/c1-3(7(8)9)2-4(5)6/h2,4H,1H3/b3-2+
InChIKey
ZTGQCAPLQKHZKB-NSCUHMNNSA-N
Compound name
(E)-1,1-difluoro-3-nitrobut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.02884 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.03612 121.4
[M+Na]+ 160.01806 128.8
[M-H]- 136.02156 119.5
[M+NH4]+ 155.06266 142.3
[M+K]+ 175.99200 124.8
[M+H-H2O]+ 120.02610 120.2
[M+HCOO]- 182.02704 143.4
[M+CH3COO]- 196.04269 167.6
[M+Na-2H]- 158.00351 126.7
[M]+ 137.02829 116.5
[M]- 137.02939 116.5
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.