CID 95271

42489-57-6

Structural Information

Molecular Formula
C9H11ClO
SMILES
CC(C)OC1=CC=CC=C1Cl
InChI
InChI=1S/C9H11ClO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,1-2H3
InChIKey
JJOKVZBVPCSGJM-UHFFFAOYSA-N
Compound name
1-chloro-2-propan-2-yloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

170.04984 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.057116 132.3
[M+Na]+ 193.039058 141.3
[M-H]- 169.042564 136.2
[M+NH4]+ 188.083663 154.0
[M+K]+ 209.012998 138.4
[M+H-H2O]+ 153.047100 127.9
[M+HCOO]- 215.048041 151.6
[M+CH3COO]- 229.063691 179.2
[M+Na-2H]- 191.024506 138.3
[M]+ 170.04929142 135.4
[M]- 170.05038858 135.4
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