CID 454219

O-(2-chloro-6-fluorobenzyl)hydroxylamine

Structural Information

Molecular Formula
C7H7ClFNO
SMILES
C1=CC(=C(C(=C1)Cl)CON)F
InChI
InChI=1S/C7H7ClFNO/c8-6-2-1-3-7(9)5(6)4-11-10/h1-3H,4,10H2
InChIKey
LROSJIONKOYASE-UHFFFAOYSA-N
Compound name
O-[(2-chloro-6-fluorophenyl)methyl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

175.02002 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.02730 130.2
[M+Na]+ 198.00924 140.4
[M-H]- 174.01274 132.6
[M+NH4]+ 193.05384 151.3
[M+K]+ 213.98318 136.6
[M+H-H2O]+ 158.01728 124.9
[M+HCOO]- 220.01822 150.5
[M+CH3COO]- 234.03387 180.2
[M+Na-2H]- 195.99469 136.3
[M]+ 175.01947 130.7
[M]- 175.02057 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe