CID 145915576

1704235-40-4

Structural Information

Molecular Formula
C8H4ClF4NO
SMILES
C1=C(C=C(C=C1C(F)(F)F)F)/C(=N/O)/Cl
InChI
InChI=1S/C8H4ClF4NO/c9-7(14-15)4-1-5(8(11,12)13)3-6(10)2-4/h1-3,15H/b14-7-
InChIKey
YZRGMRRGXMSXAV-AUWJEWJLSA-N
Compound name
(1Z)-3-fluoro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.99176 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.99904 140.7
[M+Na]+ 263.98098 151.1
[M-H]- 239.98448 139.8
[M+NH4]+ 259.02558 159.1
[M+K]+ 279.95492 146.4
[M+H-H2O]+ 223.98902 132.9
[M+HCOO]- 285.98996 155.7
[M+CH3COO]- 300.00561 191.3
[M+Na-2H]- 261.96643 145.0
[M]+ 240.99121 137.1
[M]- 240.99231 137.1
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.