CID 39846589

857335-90-1

Structural Information

Molecular Formula
C9H11IO
SMILES
CC(C)OC1=CC=CC=C1I
InChI
InChI=1S/C9H11IO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,1-2H3
InChIKey
JZXUAZVWPIWITF-UHFFFAOYSA-N
Compound name
1-iodo-2-propan-2-yloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

261.98547 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99275 141.1
[M+Na]+ 284.97469 141.8
[M-H]- 260.97819 137.8
[M+NH4]+ 280.01929 157.3
[M+K]+ 300.94863 146.4
[M+H-H2O]+ 244.98273 131.9
[M+HCOO]- 306.98367 159.4
[M+CH3COO]- 320.99932 186.9
[M+Na-2H]- 282.96014 134.7
[M]+ 261.98492 139.6
[M]- 261.98602 139.6
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