CID 101462199

933994-02-6

Structural Information

Molecular Formula
C4H2F5NO2
SMILES
C(=C/[N+](=O)[O-])\C(C(F)(F)F)(F)F
InChI
InChI=1S/C4H2F5NO2/c5-3(6,4(7,8)9)1-2-10(11)12/h1-2H/b2-1+
InChIKey
JLFNUYOHWUNVMI-OWOJBTEDSA-N
Compound name
(E)-3,3,4,4,4-pentafluoro-1-nitrobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.00056 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.007836 126.6
[M+Na]+ 213.989778 135.6
[M-H]- 189.993284 121.2
[M+NH4]+ 209.034383 145.5
[M+K]+ 229.963718 130.2
[M+H-H2O]+ 173.997820 123.7
[M+HCOO]- 235.998761 144.4
[M+CH3COO]- 250.014411 174.7
[M+Na-2H]- 211.975226 135.0
[M]+ 191.00001142 117.9
[M]- 191.00110858 117.9
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