CID 5870156

Nsc664958

Structural Information

Molecular Formula
C6H5F6NO2
SMILES
C1/C(=N\O)/COC1(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H5F6NO2/c7-5(8,9)4(6(10,11)12)1-3(13-14)2-15-4/h14H,1-2H2/b13-3+
InChIKey
HTRRXCXXRORWGE-QLKAYGNNSA-N
Compound name
(NE)-N-[5,5-bis(trifluoromethyl)oxolan-3-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.02245 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02973 138.4
[M+Na]+ 260.01167 147.4
[M-H]- 236.01517 135.3
[M+NH4]+ 255.05627 158.1
[M+K]+ 275.98561 146.7
[M+H-H2O]+ 220.01971 130.3
[M+HCOO]- 282.02065 153.0
[M+CH3COO]- 296.03630 187.6
[M+Na-2H]- 257.99712 144.5
[M]+ 237.02190 129.0
[M]- 237.02300 129.0
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.