CID 144937

81112-09-6

Structural Information

Molecular Formula
C9H8ClFO
SMILES
CC(C(=O)C1=CC=C(C=C1)F)Cl
InChI
InChI=1S/C9H8ClFO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKey
AGQLOTJUTCKLOE-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

186.02477 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.032046 133.1
[M+Na]+ 209.013988 142.1
[M-H]- 185.017494 135.7
[M+NH4]+ 204.058593 153.8
[M+K]+ 224.987928 138.6
[M+H-H2O]+ 169.022030 127.9
[M+HCOO]- 231.022971 150.6
[M+CH3COO]- 245.038621 181.9
[M+Na-2H]- 206.999436 137.3
[M]+ 186.02422142 133.8
[M]- 186.02531858 133.8
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