CID 14112612

1-iodo-2-methoxy-4,5-dimethylbenzene

Structural Information

Molecular Formula
C9H11IO
SMILES
CC1=CC(=C(C=C1C)I)OC
InChI
InChI=1S/C9H11IO/c1-6-4-8(10)9(11-3)5-7(6)2/h4-5H,1-3H3
InChIKey
SPLYPBZVIQGZTH-UHFFFAOYSA-N
Compound name
1-iodo-2-methoxy-4,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.98547 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99275 138.3
[M+Na]+ 284.97469 141.0
[M-H]- 260.97819 135.7
[M+NH4]+ 280.01929 155.2
[M+K]+ 300.94863 145.4
[M+H-H2O]+ 244.98273 129.7
[M+HCOO]- 306.98367 157.6
[M+CH3COO]- 320.99932 188.3
[M+Na-2H]- 282.96014 132.0
[M]+ 261.98492 138.2
[M]- 261.98602 138.2
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

No patent data available for this compound.