CID 12158128

2'-chloro-2,2-dimethylpropiophenone

Structural Information

Molecular Formula
C11H13ClO
SMILES
CC(C)(C)C(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C11H13ClO/c1-11(2,3)10(13)8-6-4-5-7-9(8)12/h4-7H,1-3H3
InChIKey
NJRIQERUHAYZII-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

196.06549 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.072766 140.1
[M+Na]+ 219.054708 149.0
[M-H]- 195.058214 144.1
[M+NH4]+ 214.099313 160.8
[M+K]+ 235.028648 145.4
[M+H-H2O]+ 179.062750 136.0
[M+HCOO]- 241.063691 157.4
[M+CH3COO]- 255.079341 184.0
[M+Na-2H]- 217.040156 145.7
[M]+ 196.06494142 142.7
[M]- 196.06603858 142.7
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