CID 132342218

1-(chloromethyl)-4-iodo-2,5-dimethylbenzene

Structural Information

Molecular Formula
C9H10ClI
SMILES
CC1=CC(=C(C=C1I)C)CCl
InChI
InChI=1S/C9H10ClI/c1-6-4-9(11)7(2)3-8(6)5-10/h3-4H,5H2,1-2H3
InChIKey
QIDMLDCINFFPHD-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-iodo-2,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.95157 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.95885 138.1
[M+Na]+ 302.94079 141.7
[M-H]- 278.94429 135.3
[M+NH4]+ 297.98539 155.2
[M+K]+ 318.91473 143.6
[M+H-H2O]+ 262.94883 130.4
[M+HCOO]- 324.94977 153.0
[M+CH3COO]- 338.96542 190.0
[M+Na-2H]- 300.92624 131.7
[M]+ 279.95102 138.5
[M]- 279.95212 138.5
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.