CID 3016517

50359-19-8

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
C1=CC(=CC=C1C(C(=O)Cl)N)O
InChI
InChI=1S/C8H8ClNO2/c9-8(12)7(10)5-1-3-6(11)4-2-5/h1-4,7,11H,10H2
InChIKey
YLHCHEBQIHXSIW-UHFFFAOYSA-N
Compound name
2-amino-2-(4-hydroxyphenyl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

185.02435 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.031626 135.6
[M+Na]+ 208.013568 143.6
[M-H]- 184.017074 137.7
[M+NH4]+ 203.058173 155.0
[M+K]+ 223.987508 140.0
[M+H-H2O]+ 168.021610 131.2
[M+HCOO]- 230.022551 153.5
[M+CH3COO]- 244.038201 179.8
[M+Na-2H]- 205.999016 139.4
[M]+ 185.02380142 134.8
[M]- 185.02489858 134.8
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