CID 81578

4-chloro-4'-hydroxybutyrophenone

Structural Information

Molecular Formula
C10H11ClO2
SMILES
C1=CC(=CC=C1C(=O)CCCCl)O
InChI
InChI=1S/C10H11ClO2/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6,12H,1-2,7H2
InChIKey
HZCPODPQEZHXHM-UHFFFAOYSA-N
Compound name
4-chloro-1-(4-hydroxyphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

140
Patents

198.04475 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 139.5
[M+Na]+ 221.03397 147.8
[M-H]- 197.03747 141.8
[M+NH4]+ 216.07857 159.1
[M+K]+ 237.00791 143.6
[M+H-H2O]+ 181.04201 135.0
[M+HCOO]- 243.04295 157.4
[M+CH3COO]- 257.05860 180.7
[M+Na-2H]- 219.01942 144.4
[M]+ 198.04420 141.8
[M]- 198.04530 141.8
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