CID 129960916

1-(chloromethyl)-3-iodo-2-methylbenzene

Structural Information

Molecular Formula
C8H8ClI
SMILES
CC1=C(C=CC=C1I)CCl
InChI
InChI=1S/C8H8ClI/c1-6-7(5-9)3-2-4-8(6)10/h2-4H,5H2,1H3
InChIKey
VVLAETJLMIAKBD-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-3-iodo-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

265.93594 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.94322 135.2
[M+Na]+ 288.92516 142.8
[M+NH4]+ 283.96976 141.1
[M+K]+ 304.89910 138.1
[M-H]- 264.92866 132.3
[M+Na-2H]- 286.91061 131.2
[M]+ 265.93539 134.9
[M]- 265.93649 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

No literature data available for this compound.

Patent stripe

patents stripe