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

1
Patents

191.00056 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.00784 126.6
[M+Na]+ 213.98978 135.6
[M-H]- 189.99328 121.2
[M+NH4]+ 209.03438 145.5
[M+K]+ 229.96372 130.2
[M+H-H2O]+ 173.99782 123.7
[M+HCOO]- 235.99876 144.4
[M+CH3COO]- 250.01441 174.7
[M+Na-2H]- 211.97523 135.0
[M]+ 191.00001 117.9
[M]- 191.00111 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