CID 2757618

2-chloro-1-iodo-4-methylbenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

251.92027 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.92755 129.6
[M+Na]+ 274.90949 133.1
[M-H]- 250.91299 126.7
[M+NH4]+ 269.95409 147.4
[M+K]+ 290.88343 135.4
[M+H-H2O]+ 234.91753 122.1
[M+HCOO]- 296.91847 145.1
[M+CH3COO]- 310.93412 183.3
[M+Na-2H]- 272.89494 124.9
[M]+ 251.91972 128.9
[M]- 251.92082 128.9
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