CID 15442946

1-chloro-2-iodo-4-methoxybenzene

Structural Information

Molecular Formula
C7H6ClIO
SMILES
COC1=CC(=C(C=C1)Cl)I
InChI
InChI=1S/C7H6ClIO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey
CKEGHWVVAIEDPU-UHFFFAOYSA-N
Compound name
1-chloro-2-iodo-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

267.9152 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.92248 134.2
[M+Na]+ 290.90442 137.6
[M-H]- 266.90792 131.4
[M+NH4]+ 285.94902 151.4
[M+K]+ 306.87836 140.4
[M+H-H2O]+ 250.91246 126.4
[M+HCOO]- 312.91340 149.9
[M+CH3COO]- 326.92905 185.1
[M+Na-2H]- 288.88987 129.3
[M]+ 267.91465 134.9
[M]- 267.91575 134.9
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