CID 2453555

733796-08-2

Structural Information

Molecular Formula
C9H9F2NO3
SMILES
COC1=C(C=CC(=C1)C=NO)OC(F)F
InChI
InChI=1S/C9H9F2NO3/c1-14-8-4-6(5-12-13)2-3-7(8)15-9(10)11/h2-5,9,13H,1H3
InChIKey
ZBRAYHQANBMXJA-UHFFFAOYSA-N
Compound name
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.05505 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06233 141.0
[M+Na]+ 240.04427 149.4
[M-H]- 216.04777 142.5
[M+NH4]+ 235.08887 159.4
[M+K]+ 256.01821 148.1
[M+H-H2O]+ 200.05231 133.0
[M+HCOO]- 262.05325 164.3
[M+CH3COO]- 276.06890 189.3
[M+Na-2H]- 238.02972 145.7
[M]+ 217.05450 141.5
[M]- 217.05560 141.5
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.