CID 2735744

5-chloro-2-iodotoluene

Structural Information

Molecular Formula
C7H6ClI
SMILES
CC1=C(C=CC(=C1)Cl)I
InChI
InChI=1S/C7H6ClI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey
ZZNUQVQAJVZRKW-UHFFFAOYSA-N
Compound name
4-chloro-1-iodo-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

251.92027 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.92755 130.6
[M+Na]+ 274.90949 138.4
[M+NH4]+ 269.95409 136.7
[M+K]+ 290.88343 133.9
[M-H]- 250.91299 127.8
[M+Na-2H]- 272.89494 126.9
[M]+ 251.91972 130.3
[M]- 251.92082 130.3
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

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